Information for
Quick links
Faculties
Publications
Efficient electrostatic in QE
Kamila Savvidi, Ludwig Ahrens-Iwers, Lucio Colombi Ciacchi, Dirk Zahn, Martin H. Müser, Robert Horst Meißner
Efficient treatment of long-range electrostatics in charge equilibration approaches
J. Chem. Phys. 162, 174108 (2025)
DOI: 10.1063/5.0255823
D-SQE
Martin H. Müser
Dissipative split-charge formalism: Ohm’s law, Nyquist noise, and non-contact friction
J. Chem. Phys. 161, 184112 (2024)
DOI: 10.1063/5.0242185
preprint: https://arxiv.org/abs/2408.08791
Friction of ice
Achraf Atila, Sergey V. Sukhomlinov, and Martin H. Müser
Cold self-lubrication of sliding ice
arXiv: 2402.10843
Plasticity of BMGs
Achraf Atila, Sergey V. Sukhomlinov, Marc J. Honecker, Martin H. Müser
Plasticity of metallic glasses dictated by their state at the fragile-to-strong transition temperature
Acta Materialia, 286, 120753 (2025)
DOI: 10.1016/j.actamat.2025.120753
arXiv: https://arxiv.org/abs/2408.00536
Structural lubricity of contaminated graphite
Wai H. Oo, Hongyu Gao, Martin H. Müser, and Mehmet Z. Baykara
Persistence of Structural Lubricity on Contaminated Graphite: Rejuvenation, Aging, and Friction Switches
Nano Letters 24, 12118-12124 (2024)
DOI: 10.1021/acs.nanolett.4c02883
Original submission to arXiv: https://arxiv.org/abs/2407.03360
Shear-thinning of alkanes
Hongyu Gao and Martin H. Müser,
On the shear-thinning of alkanes
Tribol. Lett. 72, 16 (2024).
DOI: 10.1007/s11249-023-01813-5
Significance of elastic coupling
Christian Müller, Martin H. Müser, Giuseppe Carbone, and Nicola Menga,
Significance of elastic coupling for stresses and leakage in frictional contacts
Phys. Rev. Lett. 131, 156201 (2023).
DOI: 10.1103/PhysRevLett.131.156201
Adhesion scaling
Christian Müller and Martin H. Müser
How short-range adhesion slows down crack closure and contact formation
J. Chem. Phys. 159, 0174379 (2023).
DOI: 10.1063/5.0174379
Viscous and multi-stability hysteresis in adhesive contacts
Christian Müller, Manar Samri, René Hensel, Eduard Arzt, and Martin H. Müser
Revealing the coaction of viscous and multistability hysteresis in an adhesive, nominally flat punch: A combined numerical and experimental study
J. Mech. Phys. Sol. 174, 105260 (2023).
DOI: 10.1016/j.jmps.2023.105260
Free download for 50 days: https://authors.elsevier.com/a/1glYG57Zk5Jv9
Preprint: arxiv.org/abs/2211.12963
Adhesion of thin sheets
Anle Wang and Martin H. Müser
On the adhesion between thin sheets and randomly rough surfaces
Front. Mech. Eng. TBD, TBD (2022)
DOI: 10.3389/fmech.2022.965584 (open access)
Elastic constants and many-body interatomic potentials
Jan Grießer, Lucas Frérot, Jonas A. Oldenstaedt, Martin H. Müser, Lars Pastewka
Analytic elastic constants in molecular calculations: Finite strain, non-affine displacements, and many-body interatomic potentials
Phys. Rev. Mater.
https://arxiv.org/abs/2302.08754
Rough surface modeling
M. H. Müser and L. Nicola
Modeling the surface-topography dependence of friction, adhesion, and contact compliance
MRS Bulletin (in print).
DOI: 10.1557/s43577-022-00468-2 ([future] open access)
Local preprint
Differentiating pressure-, shear-, and temperature-induced reactions
S. V. Sukhomlinov, G. Kickelbick, and M. H. Müser
Mechanochemical ionization: Differentiating pressure-, shear-, and temperature-induced reactions in a model phosphate
Tribol. Lett. 69, 89 (2021)
DOI: 10.1007/s11249-022-01644-w (open access)
(accepted preprint)
Stickiness criterion for adhesion
Anle Wang and Martin H. Müser
Is there more than one stickiness criterion?
Friction TBD, TBD (2022)
DOI: 10.1007/s40544-022-0644-3 (open access)
Structural lubricity of graphite and its breakdown
Hongyu Gao and Martin H. Müser
Structural lubricity of physisorbed gold clusters on graphite and its breakdown: Role of boundary conditions and contact lines
Frontiers in Chemistry 10, ??? (2022)
DOI: 10.3389/fchem.2022.935008 (open access)
Preprint: arxiv.org/abs/2205.01177
Cutting off potentials
Martin H. Müser
Improved cutoff functions for short-range potentials and the Wolf summation
Mol. Phys. 48, 1393-1401 (2022)
DOI: 10.1080/08927022.2022.2094430
Preprint: arxiv.org/abs/2204.13639
Interatomic potentials
Martin H. Müser, Sergey V. Sukhomlinov, and Lars Pastewka
Interatomic potentials: Achievements and challenges
Adv. Phys. X 8, 1 (2023)
DOI: 10.1080/23746149.2022.2093129 (open access)
Preprint: arxiv.org/abs/2204.09563
Viscoelastic pull-off dynamics
Martin H. Müser and Bo N. J. Persson
Crack and pull-off dynamics of adhesive, viscoelastic solids
EPL 137, 36004 (2022)
DOI: 10.1209/0295-5075/ac535c (open access)
preprint
Viscous dissipation of randomly rough surfaces
Sergey Sukhomlinov and Martin H. Müser
On the viscous dissipation caused by randomly rough indenters in smooth sliding motion
Appl. Surf. Sci. Adv. 6, 100182 (2021)
DOI: 10.1016/j.apsadv.2021.100182
Preprint: http://arxiv.org/abs/2104.15056
Specific heat of polymers
Hongyu Gao, Tobias P. W. Menzel, Martin H. Müser, and Debashish Mukherji
Comparing simulated specific heat of liquid polymers and oligomers to experiments
Phys. Rev. Mat. 5, 065605 (2021)
https://doi.org/10.1103/PhysRevMaterials.5.065605
(preprint)
Zinc phosphate film formation under anisotropic stress
Sergey V. Sukhomlinov and Martin H. Müser
Stress anisotropy severely affects zinc phosphate network formation
Tribol. Lett. 69, 89 (2021)
DOI: 10.1007/s11249-021-01462-6
submitted manuscript, supplemental materials
Anisotropic percolation and Reynolds flow
Anle Wang and Martin H. Müser
Percolation and Reynolds Flow in Elastic Contacts of Isotropic and Anisotropic, Randomly Rough Surfaces
Tribol. Lett. 69, 1 (2021)
https://rdcu.be/cbSXO (open access)
Modeling adhesive hysteresis
Anle Wang, Yunong Zhou, and Martin H. Müser
Modeling adhesive hysteresis
Lubricants 9, 17 (2021)
preprint submitted to Lubricants
DOI: 10.3390/lubricants9020017 (open access)
Contact mechanics across the spatial dimensions
Elastic contacts of randomly rough indenters with thin sheets, membranes under tension, half spaces, and beyond
Martin H. Müser
Tribol. Lett. 69, 25 (2021); (accepted version)
DOI: 10.1007/s11249-020-01383-w (open access)
Contacts of random surfaces with correlation
Effect of structural parameters on the relative contact area for ideal, anisotropic, and correlated random roughness
Yunong Zhou and Martin H. Müser,
Front. Mech. Eng. 6, article 59 (2020).
DOI: 10.3389/fmech.2020.00059 (open access)
Dissipation in surfactant monolayers
Hongyu Gao, James P. Ewen, Remco Hartkamp, Martin H. Müser, and Daniele Dini
Scale-Dependent Friction-Coverage Relations and Non-Local Dissipation in Surfactant Monolayers
Langmuir 37, 2406-2418 (2021)
DOI: 10.1021/acs.langmuir.0c03403
Preprint: chemrxiv
A new function for local structure characterization
Sergey V. Sukhomlinov and Martin H. Müser
A mixed radial, angular, three-body distribution function as a tool for local structure characterization: Application to single-component structures
J. Chem. Phys. 152, 07964 (2020)
DOI: 10.1063/5.0007964
accepted version, supplementary material
g3.tar (tar ball with code, readme file, and example)
Shear thinning in the Prandtl model
Martin H. Müser
Shear thinning in the Prandtl model and its relation to generalized Newtonian fluid
Lubricants 8, 38 (2020)
DOI: 10.3390/lubricants8040038 (open access)
[ original submission ]
Thermal contact mechanics
How thermal fluctuations affect hard-wall repulsion and thereby Hertzian contact mechanics
Yunong Zhou, Anle Wang, and Martin H. Müser,
Frontiers 5, 67 (2019); (submitted version)
Plasticity of polymer surfaces
A. Tiwari, A. Wang, M.H. Müser, and B.N.J. Persson
Contact mechanics for solids with randomly rough surfaces and plasticity
Lubricants 7, 90 (2019)
DOI: 10.3390/lubricants7100090 (open source)
Confined solidification
Hongyu Gao and Martin H. Müser
Why liquids can appear to solidify during squeeze-out – even when they don’t
Journal of Colloidal and Interface Science 562, 273–278 (2020);
preprint / free download for 50 days
DOI: 10.1016/j.jcis.2019.10.097
Entropy can bundle nanowires
Hongyu Gao, Simon Bettscheider, Tobias Kraus, and Martin H. Müser
Entropy can bundle nanowires in good solvents
(accepted version version, supporting information)
DOI: 10.1021/acs.nanolett.9b02379
Contact mechanics of hydrogels
Martin H. Müser, Han Li, and Roland Bennewitz,
Modeling the contact mechanics of hydrogels
Lubricants 7, 35 (2019).
DOI: 10.3390/lubricants7040035 (free access)
Shear heating of confined fluids
James P. Ewen, Hongyu Gao, Martin H. Müser and Daniele Dini,
Shear heating, flow, and friction of confined molecular fluids at high pressure
Phys. Chem. Them. Phys. 21, 5813-5823 (2019).
DOI: 10.1039/C8CP07436D
Limits of structural lubricity
Martin H. Müser,
Are there limits to superlubricity of graphene in hard, rough contacts?
Frontiers in mechanical engineering 5, 28 (2019)
open access and submitted version
DOI: 10.3389/fmech.2019.00028
Structural changes at the fragile-to-strong transition in BMG-forming melts
S. V. Sukhomlinov and M. H. Müser,
Quasi-discontinuous change of the density correlation length at the fragile-to-strong transition in a bulk-metallic-glass forming melt
Phys. Rev. Materials 2, 115604 (2018) (accepted version)
DOI: 10.1103/PhysRevMaterials.2.115604
System-size anomalies of BMG forming melts
S. V. Sukhomlinov and M. H. Müser,
Anomalous system-size dependence of properties at the fragile-to-strong transition in a bulk-metallic-glass forming melt
Comp. Mat. Sci. 156, 129-134 (2018); (submitted version).
DOI: 10.1016/j.commatsci.2018.09.047
(free download until Nov. 15, 2018)
Contact mechanics of stepped indenters
Martin H. Müser,
Elasticity does not necessarily break down in nanoscale contacts
Tribol. Lett. 67, 57 (2019) (accepted version, view article)
DOI: 10.1007/s11249-019-1170-y
Setting boundary-element problems on FIRE
Yunong Zhou, Michael Moseler, and Martin H. Müser,
Solution of boundary-element problems using the fast-inertial-relaxation-engine method
Phys. Rev. B 99, 144103 (2019) (accepted version)
DOI: 10.1103/PhysRevB.99.144103
Limits of self-affinity in contact between randomly rough surfaces
Martin H. Müser and Anle Wang,
Contact-patch-size distribution and limits of self-affinity in contacts between randomly rough surfaces
Lubricants 6, 85 (2018)
DOI: 10.3390/lubricants6040085 (free access)
Internal stresses
Martin H. Müser,
Internal, elastic stresses below randomly rough contacts
J. Mech. Phys. Solids
(accepted version upon request, or after June 20, 2020 on this site)
DOI: 10.1016/j.jmps.2018.06.012.
Response to Comment on Contact-Mechanics Challenge
Martin H. Müser,
Response to “A Comment on Meeting the Contact‑(Mechanics) Challenge”
Tribol. Lett. 65, 103 (2017).
(accepted version)
DOI: 10.1007/s11249-018-0986-1.
The height-difference ACF
Anle Wang and Martin H. Müser,
On the usefulness of the height-difference-autocorrelation function
for contact mechanics
Tribol. Int. 123, 224-233 (2018).
Free download (until May 12, 2018)
DOI: 10.1016/j.triboint.2018.02.002
submitted version
On the linearity of contact area and reduced pressure
Martin H. Müser,
On the linearity of contact area and reduced pressure
Tribol. Lett. 65, 129 (2017).
DOI: 10.1007/s11249-017-0912-y. (view only)
(accepted version).
Gauging Persson theory on adhesion
Anle Wang and Martin H. Müser,
Gauging Persson theory on adhesion
Tribol. Lett. 65, 103 (2017).
(accepted version)
DOI: 10.3390/10.1007/s11249-017-0886-9.
Contact-mechanics-modeling challenge
Martin H. Müser, Wolf B. Dapp, Romain Bugnicourt et al,
Meeting the contact-mechanics challenge
Tribol. Lett. 65, 188 (2017).
DOI: 10.1007/s11249-017-0900-2.
(submitted version)
Selected as one of 250 articles by Springer-Nature as a potential change-the-world article.
See also: Robert W. Carpick’s Perspective in
DOI: Science 359, 38 (2017) .
GFDD
Syam P. Venugopalan, Martin H. Müser and Lucia Nicola
Green’s function molecular dynamics meets discrete dislocation plasticity
Model. Simul. Mater. Sc. Eng. 25, 065018 (2017). (submitted version)
DOI: 10.1088/1361-651X/aa7e0e
GFMD – finite height and shear
S. P. Venugopalan, Martin H. Müser and Lucia Nicola
Green’s function molecular dynamics: Including finite heights, shear, and body fields
Model. Simul. Mater. Sc. Eng. 25, 034001 (2017)
DOI: 10.1088/1361-651X/aa606b
(accepted version)
Determination of bond lengths
S. V. Sukhomlinov and M. H. Müser,
Determination of accurate, mean bond lengths from radial distribution functions
J. Chem. Phys. 146, 024506 (2017).
DOI: 10.1063/1.4973804.
accepted version
Contact mechanics of thin, elastic sheets
Carmine Putignano, Wolf B. Dapp and Martin H. Müser,
A Green’s Function Molecular Dynamics Approach to the Mechanical Contact between Thin Elastic Sheets and Randomly Rough Surfaces
Biomimetics 1, 7 (2016)
DOI: 10.3390/biomimetics1010007.
Nominally flat Hertzian contacts
Martin H. Müser,
On the contact area of nominally flat Hertzian contacts,
Tribol. Lett. 64, 14 (2016). (submitted version)
DOI: 10.1007/s11249-016-0750-3
Constraints of EAM-type potentials
S. V. Sukhomlinov and M. H. Müser,
Constraints on phase stability, defect energies, and elastic constants of metals described by EAM-type potentials
J. Phys.: Condens Matt 28, 395701 (2016).
DOI: 10.1088/0953-8984/28/39/395701.
accepted version
See also the summarizing labtop article http://journals.iop.org/cws/article/jpcm/65856.
Link might be broken: promotion.pdf
Leakage near percolation
Wolf B. Dapp and Martin H. Müser,
Fluid leakage near the percolation threshold,
Sci. Rep. 6, 19513 (2016).
DOI: 110.1038/srep19513.
http://arxiv.org/abs/1512.00186 (submitted version).
Dimensionless measure for adhesion
Martin H. Müser,
A dimensionless measure for adhesion and effects of the range of adhesion
in contacts of nominally flat surfaces,
Tribol. Int. 100, 41–47 (2016)
DOI: 10.1016/j.triboint.2015.11.010.
Dynamic shear force microscopy
M.-D. Krass, N. N. Gosvami, R. W. Carpick, M. H. Müser, and R. Bennewitz,
Dynamic shear force microscopy of nanometer-confined hexadexane layers ,
J. Phys.: Condens. Matt. 28, 13004 (2016).
DOI: 10.1088/0953-8984/28/13/134004.
Cauchy violation and charge-transfer potentials
S. V. Sukhomlinov and M. H. Müser,
Charge-transfer potentials for ionic crystals: Cauchy violation, LO-TO splitting, and the necessity of an ionic reference state,
J. Chem. Phys. 143, 224101 (2015).
DOI: 10.1063/1.4936575
accepted version
High-order Gaussian chain simulations
Martin H. Müser and Marcus Müller,
High-order sampling schemes for path integrals and Gaussian chain simulations of polymers,
J. Chem. Phys. 142, 174105 (2015)
DOI: 10.1063/1.4919311
(submitted version).
Friction and adhesion hysteresis of polymer brushes
Sissi de Beer, G. Djuijé Kenmoé and Martin H. Müser,
On the friction and adhesion hysteresis between polymer
brushes attached to curved surfaces,
Friction 3, 148-160 (2015). (accepted version)
DOI: 10.1007/s40544-015-0078-2
Critical constrictions
Wolf B. Dapp and Martin H. Müser,
Contact mechanics of and Reynolds flow through saddle points,
EPL 109, 44001 (2015).
DOI: 10.1209/0295-5075/109/44001
Systematically modified embedded-atom potentials
Jari Jalkanen and Martin H. Müser,
Systematic analysis and modification of embedded-atom potentials: Case study of copper,
Model. Simul. Mater. Sc. Eng. 23, 074001 (2015).
DOI: 10.1088/0965-0393/23/7/074001
(accepted version).
Polymer-brush preparation
de Beer, S., Kutnyanszky, E., Müser, M. H., Vancso, G. J. ,
Preparation and Friction Force Microscopy Measurements of Immiscible, Opposing Polymer Brushes,
J. Vis. Exp. (94), e52285 (2014)
http://www.jove.com/video/52285.
doi:10.3791/52285
Polymer-brush tilting in frictional contacts
Sissi de Beer and Martin H. Müser,
Friction in (im-)miscible polymer brush systems and the role of transverse polymer-tilting,
Macromolecules 47, 7666-7673 (2014). (accepted preprint)
DOI information: http://pubs.acs.org/doi/abs/10.1021/ma501718b
Atomic structure in interfaces of bulk metallic glasses with crystals
X. Z. Gao, Martin H. Müser, L. T. Kong, and J. F. Li,
Atomic structure and energetics of amorphous-crystalline CuZr interfaces: A molecular
dynamics study,
Model. Simul. Mater. Sc. Eng. 22, 065007 (2014); (accepted version).
Doi: 10.1088/0965-0393/22/6/065007
Reducing friction
Sissi de Beer, Edit Kutnyanszky, Peter M. Schön, G. Julius Vansco, and Martin H. Müser,
Solvent induced immiscibility of polymer brushes eliminates dissipation channels,
Nat. Commun. 5, 3781 (2014),
DOI: doi:10.1038/ncomms4781
(accepted version and supplementary material).
Test of Persson Theory
Wolf B. Dapp, Nikolay Prodanov, and Martin H. Müser,
Systematic analysis of Persson’s contact mechanics theory of randomly rough elastic surfaces,
J. Phys. Condens Matt. 26, 355002 (2014).
DOI: 10.1088/0953-8984/26/35/355002
(accepted version).
Single-asperity contact mechanics
Martin H. Müser,
Single-asperity contact mechanics with positive and negative work of adhesion: Influence of finite-range interactions and a continuum description for the squeeze-out of wetting fluids,
Beilstein J. Nanotech. 5, 419-437 (2014).
(accepted version)
Open access: http://www.beilstein-journals.org/bjnano/content/5/1/50
Layering of ionic liquids
Judith Hoth, Florian Hausen, Martin H. Müser, and Roland Bennewitz,
Force microscopy of layering and friction in an ionic liquid ,
J. Phys.: Condens. Matt. 26, 284110 (2014).
(accepted version)
DOI: 10.1088/0953-8984/26/28/284110
Landau Theory for PCMs
Matthias Thielen, Razvan A. Nistor, Guillermo Beltramo, Margret Giesen, and Martin H. Müser,
Landau theory for stress-induced, order-disorder transitions in phase change materials ,
Phys. Rev. B 89, 054101 (2014). (accepted version)
DOI: 10.1103/PhysRevB.89.054101
Contact area and mean gap
Nikolay Prodanov, Wolf. B. Dapp, and Martin H. Müser,
On the contact area and mean gap of rough, elastic contacts:
Dimensional analysis, numerical corrections and reference data,
Tribol. Lett. 53, 433–448 (2014).
DOI: 10.1007/s11249-013-0282-z,
arxiv: http://arxiv.org/abs/1311.7547.
Dielectric response functions
Martin H. Müser
Modeling the dielectric response of atomistic and continuous media with the split-charge method,
in Multiscale Modelling Methods for Applications in Materials Science,
IAS Series 19, 115–134 (2013), I. Kondov and G. Sutman (Eds.).
(submitted version)
Dissipation mechanisms for polymer brushes
Sissi de Beer and Martin H. Müser,
Alternative dissipation mechanisms and the effect of the solvent in friction
between polymer brushes on rough surfaces,
Soft Matter 9, 7234 – 7241 (2013); (accepted version) and (supplementary material).
DOI: C3SM50491C, elected to be a hot paper of July 2013 by RSC
Atomistic battery discharge simulations
W. B. Dapp and M. H. Müser,
Redox reactions with empirical potentials: Atomistic battery discharge simulations,
J. Chem. Phys. 139, 064106 (2013); (accepted version).
DOI: 10.1063/1.4817772, arXiv: http://arxiv.org/abs/1308.3424
Simulating contact electrification
W. Dapp and M. H. Müser,
Towards time-dependent, non-equilibrium charge-transfer force fields,
Eur. Phys. J. B 86, 337 (2013); (accepted version).
DOI: 10.1140/epjb/e2013-40047-x
Finite-size effects in contacts between self-affine surfaces
L. Pastewka, N. Prodanov, B. Lorenz, M. H. Müser, M. O. Robbins, and B. N. J. Persson,
Finite-size effect in the interfacial stiffness of rough elastic contacts,
Phys. Rev. E 87, 062809 (2013); (accepted version).
DOI: 10.1103/PhysRevE.87.062809
Contact mechanics of LST surfaces
N. Prodanov, C. Gachot, A. Rosenkranz, F. Mücklich, and M. H. Müser,
Contact mechanics of laser-textured surfaces,
Tribol. Lett. 50, 41-48 (2013); (accepted version).
DOI: 10.1007/s11249-012-0064-z
Friction between laser-patterned surfaces
C. Gachot, A. Rosenkranz, L. Reinert, E. Ramos-Moore, N. Souza, M. H. Müser and F. Mücklich,
Dry friction between laser-patterned surfaces: Role of alignment, structural wavelength and surface chemistry,
Tribol. Lett. 49, 193-202 (2013); (accepted version).
DOI: 10.1007/s11249-012-0057-y
New wear mechanism due to surface instabilities
Sissi de Beer and Martin H. Müser,
Viewpoint: Surface folds make tears and chips,
Physics 5, 100 (2012).
DOI: 10.1103/Physics.5.100.
Contact percolation and leakage
W. B. Dapp, A. Lücke, B. N. J. Persson, and M. H. Müser,
Self-affine elastic contacts: percolation and leakage
Phys. Rev. Lett. 108, 244301 (2012); (accepted version).
DOI: 10.1103/PhysRevLett.108.244301
Velocity dependence of friction
M. H. Müser,
The velocity dependence of kinetic friction in the Prandtl-Tomlinson model,
Phys. Rev. B 84, 125419 (2011); (accepted version), DOI: 10.1103/PhysRevB.84.125419
Cuts through self-affine surfaces
S. B. Ramisetti, C. Campana, G. Anciaux, J.-F. Molinari, M. H. Müser, and M. O. Robbins,
Autocorrelation functions for contour cuts through self-affine surfaces,
J. Phys.: Condens. Matt. 23 215004 (2011); (submitted version). DOI: http://dx.doi.org/10.1088/0953-8984/23/21/215004
Chemical hardness within charge equilibration
The chemical hardness of molecules and the band gap of solids within charge equilibration formalisms,
Eur. Phys. J. B 85, 135 (2012) (accepted version),
DOI: 10.1140/epjb/e2012-21081-8.
Pseudogap in cuprates
R. A. Nistor, G. J. Martyna, D. M. Newns, C. C. Tsuei, and M. H. Müser,
Ab initio theory of the pseudogap in cuprate superconductors driven by C4 symmetry breaking,
Phys. Rev. B 81, 224301 (accepted version), DOI: 81.224301/PhysRevB.81.224301
Crystallization pressure of phase change materials
D. Shakhvorostov and M. H. Müser,
Effect of dopant size and dopant concentration on the crystallization pressure of phase change materials: The role of local order and non-local interactions,
EPL 93, 36002 (2011); (submitted version).
Transverse interfacial stiffness
C. Campana, B. N. J. Persson, and M. H. Müser,
Transverse and normal interfacial stiffness of solids with randomly rough surfaces,
J. Phys.: Condens. Matter 23, 085001 (2011) (accepted version).
DOI information: stacks.iop.org/JPhysCM/23/085001.
The friction of wrinkles
H. Mohammadi and M. H. Müser,
The friction of wrinkles
Phys. Rev. Lett. 105, 224301 (2010), (accepted version), DOI: 10.1103/PhysRevLett.105.224301
Mechanical properties of zinc and calcium phosphates
D. Shakhvorostov, M. A. Nicholls, P. R. Norton, and M. H. Müser,
Mechanical properties of zinc and calcium phosphates: Structural insights and relevance to anti-wear functionality,
Eur. Phys. J. B 76, 347-352 (2010) (submitted version), DOI: 10.1140/epjb/e2010-00193-3
A gold marker technique revealing phase-specific wear
D. Shakhvorostov, P. R. Norton, and M. H. Müser,
A gold marker technique revealing phase-specific wear and sub-surface deformation with nanometer resolution,
Adv. Mater. 22, 2814 (2010) (accepted version), DOI: 10.1002/adma.201000609
Rationalizing phase change materials from elementary principles
M. H. Müser,
Rationalizing phase change materials from elementary principles,
Eur. Phys. J. B 74, 291-302 (2010) (accepted version), DOI: (10.1140/epjb/e2010-00072-y)
Why thick can be slick
M. H. Müser and D. Shakhvorostov,
Why thick can be slick, (invited commentary)
Science 328, 52-53 (2010) (original), DOI: 10.1126/science.1188086
First principles-based theory of collective creep
M. H. Müser,
First principles-based theory of collective creep (invited commentary)
Proc. Natl. Acad. Sci. USA 107, 1257-1258 (2010), DOI: 10.1073/pnas.0914458107
The crucial role of chemical detail for slip boundary conditions
L.-T. Kong, C. Denniston, and M. H. Müser,
The crucial role of chemical detail for slip boundary conditions: Molecular dynamics simulations of linear oligomers between sliding aluminium surfaces ,
Model. Simul. Mater. Sc. Eng.18, 034004 (2010); doi (10.1088/0965-0393/18/3/034004); (accepted version).
Origin of the isotope effect on solid friction
Y. Mo, M. H. Müser, and I. Szlufarska,
Origin of the isotope effect on solid friction,
Phys. Rev. B 80, 155438 (2009). (accepted version).
DOI information: 10.1103/PhysRevB.80.155438.
Non-bonded force field for the interaction between metals and organic molecules
L. T. Kong, C. Denniston, M. H. Müser, and Y. Qi,
Non-bonded force field for the interaction between metals and organic molecules: A case study of olefins on aluminum,
Phys. Chem. Chem. Phys. 11, 10195-10203 (2009), accepted version.
DOI information: 10.1039/B906874K.
Smart materials behaviour in phosphates
D. Shakhvorostov, M. H. Müser, Y. Song, and P. R. Norton,
Smart materials behaviour in phosphates: Role of hydroxyl groups and relevance to antiwear films,
J. Chem. Phys. 131, 044704 (2009); accepted version, DOI:10.1063/1.3182854
Evidence for electronic gap-driven metal-semiconductor transition in phase-change materials
D. Shakhvorostov, R. A. Nistor, L. Krusin-Elbaum, G. J. Martyna, D. M. Newns, B. G. Elmegreen, X. Liu, Z. E. Hughes, S. Paul, C. Cabral Jr., S. Raoux, D. B. Shrekenhamer, D. N. Basov, Y. Song, and M. H. Müser,
Evidence for electronic gap-driven metal-semiconductor transition in phase-change materials,
Proc. Natl. Acad. Sci. USA 106, 10907-10911 (2009).
DOI information: 10.1073/pnas.0812942106.
A comparative study of the centroid and ring polymer molecular dynamics
A. Perez, M. E. Tuckerman, and M. H. Müser,
A comparative study of the centroid and ring polymer molecular dynamics methods for approximating quantum time correlation functions from path integrals,
J. Chem. Phys. 130, 184105 (2009); accepted version, DOI:10.1063/1.3126950.
Dielectric properties of solids in the regular and split-charge equilibration formalisms
R. A. Nistor and M. H. Müser,
Dielectric properties of solids in the regular and split-charge equilibration formalisms,
Phys. Rev. B 79 104303 (2009); submitted version.
DOI information: 10.1103/PhysRevB.79.104303.
Correlating cation coordination, stiffness, phase transition pressures, and smart materials behavior in metal phosphates
D. Shakhvorostov, M. H. Müser, N. J. Mosey, Y. Song and P. R. Norton,
Correlating cation coordination, stiffness, phase transition pressures, and smart materials behavior in metal phosphates,
Phys. Rev. B 79, 094107 (2009); submitted version, DOI:10.1103/PhysRevB.79.094107.
Implementation of Green’s function molecular dynamics: an extension to LAMMPS
L. T. Kong, G. Bartels, C. Campana, C. Denniston, and M. H. Müser,
Implementation of Green’s function molecular dynamics: an extension to LAMMPS,
Comput. Phys. Comm. 180, 1004-1010 (2009); ( submitted version),
DOI information: 10.1016/j.cpc.2008.12.035.
How static is static friction?
M. H. Müser,
How static is static friction? (invited commentary)
Proc. Natl. Acad. Sci. USA 105, 13187-13188 (2008), (original), DOI:10.1073/pnas.0807273105.
Elastic contact between self-affine surfaces
C. Campana, M. H. Müser, and M. O. Robbins,
Elastic contact between self-affine surfaces: Comparison of numerical stress and contact correlation fucntions with analytic predictions,
J. Phys.: Condens. Matter 20, 354013 (2008). Download preprint or http://arXiv.org/abs/0804.0062, DOI: 10.1088/0953-8984/20/35/354013
Scaling laws of single polymer dynamics near attractive surfaces
D. Mukherji, G. Bartels, and M. H. Müser,
Scaling laws of single polymer dynamics near attractive surfaces,
Phys. Rev. Lett. 100, 068301 (2008)
accepted version, supplementary material,
DOI:10.1103/PhysRevLett.100.068301
A rigorous, field-theoretical approach to the contact mechanics of rough, elastic solids
M. H. Müser,
A rigorous, field-theoretical approach to the contact mechanics of rough, elastic solids,
Phys. Rev. Lett. 100, 055504 (2008), accepted version, mathematical appendix.
On the pressure-induced loss of crystallinity in zinc- and calcium-phosphates
D. Shakhvorostov, M. H. Müser, N. J. Mosey, D. J. Munoz-Paniagua, G. Pereira, Y. Song, M. Kasrai, and P. R. Norton,
On the pressure-induced loss of crystallinity in zinc- and calcium-phosphates,
J. Chem. Phys. 128, 074706 (2008) accepted version.
Elucidating the contact mechanics of aluminum silicon surfaces with Green’s function molecular dynamics
C. Campana, M. H. Müser, C. Denniston, Y. Qi, and T. A. Perry,
Elucidating the contact mechanics of aluminum silicon surfaces with Green’s function molecular dynamics,
J. Appl. Phys. 102, 113511 (2007) accepted version.
Atomistic modeling of friction
N. J. Mosey and M. H. Müser,
Atomistic modeling of friction,
Rev. Comp. Chem. 25, 67-124 (2007),
K. B. Lipkowitz, R. Larter, and T. R. Cundari, Eds., Wiley-VCH, New York
Available upon request.
Glassy dynamics, aging in mobility, and structural relaxation of strongly adsorbed polymer films
D. Mukherji and M. H. Müser,
Glassy dynamics, aging in mobility, and structural relaxation of strongly adsorbed polymer films: Corrugation or confinement?,
Macromolecules 40, 1754 – 1762 (2007) (accepted version).
Contact mechanics of real vs. randomly rough surfaces
C. Campana and M. H. Müser,
Contact mechanics of real vs. randomly rough surfaces: A Green’s function molecular dynamics study,
Europhys. Lett. 77, 38005 (2007) (accepted version).
Computer simulations of undercooled fluids and glasses
K. Binder, D. Herzbach, J. Horbach, and M. H. Müser,
Computer simulations of undercooled fluids and glasses,
in Materials for Tomorrow, Eds. S. Gemming, M. Schreiber, and J.-B. Suck (Eds.), pp. 1-32 (Springer, Berlin, 2007).
Theoretical Aspects of Superlubricity
M. H. Müser,
Theoretical Aspects of Superlubricity,
in Fundamentals of Friction and Wear on the Nanoscale, E. Gnecco and E. Meyer (Eds.), pp. 177-200 (Springer, Berlin, 2007)
Theory and simulation of friction and lubrication
M. H. Müser,
Theory and simulation of friction and lubrication,
Lecture Notes in Physics 704, 65-104 (Springer, Berlin, 2006). (reprint, 3.5M).
Interpretation of experiments on ZDDP anti-wear films through pressure-induced cross-linking
N. J. Mosey, T. K. Woo, M. Kasrai, P. R. Norton, G. M. Bancroft, and M. H. Müser,
Interpretation of experiments on ZDDP anti-wear films through pressure-induced cross-linking,
Tribol. Lett. 24, 105-114 (2006). (preprint).
A generalization of the charge equilibration method for non-metallic materials
R. A. Nistor, J. G. Polihronov, M. H. Müser, and N. J. Mosey,
A generalization of the charge equilibration method for non-metallic materials,
J. Chem. Phys. 125, 094108 (2006). (accepted version); (auxiliary electronic material).
Practical Green’s function approach to the simulation of elastic, semi-infinite solids
C. Campana and M. H. Müser,
Practical Green’s function approach to the simulation of elastic, semi-infinite solids,
Phys. Rev. B 74, 075420 (2006) (accepted version).
selected for VJ Nanoscale Sci. & Technol., Vol. 14, Issue 10, 2006.
Possible explanation of the lambda-shape anomaly in polymer surface diffusion
D. Mukherji and M. H. Müser,
Possible explanation of the lambda-shape anomaly in polymer surface diffusion,
Phys. Rev. E 74, 010601 (2006). (accepted version).
On the orientation of lamellar block copolymer phases under shear
B. Fraser, C. Denniston, and M. H. Müser,
On the orientation of lamellar block copolymer phases under shear,
J. Chem. Phys. 124, 104902 (2006) (preprint).
Piezoelectric coefficients by molecular dynamics simulations in the constant stress ensemble: A case study of quartz
D. Herzbach and M. H. Müser,
Piezoelectric coefficients by molecular dynamics simulations in the constant stress ensemble: A case study of quartz,
Comput. Phys. Comm. 174 , 17-23 (2006).
( web-article from CPC, preprint.)
Reibung ohne Kontakt
M. H. Müser,
Reibung ohne Kontakt,
Physik Journal 5 (Nr. 7), 21-22 (2006).
Comparison of model potentials for molecular dynamics simulations of silica
D. Herzbach, K. Binder, and M. H. Müser,
Comparison of model potentials for molecular dynamics simulations of silica,
J. Chem. Phys. 123, 124711 (2005). (preprint).
Energy dissipation via quantum chemical hysteresis during high-pressure compression: A first-principles molecular dynamics study of phosphates
N. J. Mosey, T. K. Woo, and M. H. Müser,
Energy dissipation via quantum chemical hysteresis during high-pressure compression: A first-principles molecular dynamics study of phosphates,
Phys. Rev. B 72, 054124 (2005) (preprint).
Molecular mechanisms for the functionality of lubricant additives
N. J. Mosey, M. H. Müser, and T. K. Woo,
Molecular mechanisms for the functionality of lubricant additives,
Science 307, 1612-1615 (2005); (full version / abstract only).
In the science media:
A theoretical and computational study of superlubricity and the role of the roughness exponent
M. H. Müser and C. Campana,
A theoretical and computational study of superlubricity and the role of the roughness exponent, in Proceedings WTC2005 World Tribology Congress III (Eds. R.S.Cowan, J.Tichy, S.Gunsel, J.Knight), paper WTC2005-63868; ASME, New York, NY, 2005. (accepted version).
Many-body quantum dynamics by adiabatic path-integral molecular dynamics: Disordered Frenkel Kontorova models
F. R. Krajewski and M. H. Müser,
Many-body quantum dynamics by adiabatic path-integral molecular dynamics: Disordered Frenkel Kontorova models,
Comput. Phys. Comm. 169, 426-429 (2005). (preprint).
Quantum dynamics in the highly discrete, commensurate Frenkel Kontorova model
F. R. Krajewski and M. H. Müser,
Quantum dynamics in the highly discrete, commensurate Frenkel Kontorova model: A path-integral molecular dynamics study,
J. Chem. Phys. 122, 124711 (2005). (preprint).
Diffusion, elasticity, and shear flow in self-assembled block copolymers
B. Fraser, C. Denniston, and M. H. Müser,
Diffusion, elasticity, and shear flow in self-assembled block copolymers: A molecular dynamics study,
J. Pol. Sci. B 43, 969-981 (2005). (submitted version).
Calculations of the threshold force and threshold power to move adsorbed nanoparticles
D. A. Aruliah, M. H. Müser, and U. D. Schwarz,
Calculations of the threshold force and threshold power to move adsorbed nanoparticles,
Phys. Rev. B 71, 085406 (2005); (submitted version).
selected for VJ Nanoscale Sci. & Technol., Vol. 11, Issue 7, 2005.
On finite-size effects in the simulation of high-pressure, quartz-like structures
C. Campana and M. H. Müser,
On finite-size effects in the simulation of high-pressure, quartz-like structures,
High-Press. Res. 24, 517-523 (2004). (preliminary version).
On the irreversibility of the pressure-induced phase transition of quartz
C. Campana, M. H. Müser, J. S. Tse, D. Herzbach, and P. Schöffel,
On the irreversibility of the pressure-induced phase transition of quartz and the relation between three hypothetical post-quartz phases,
Phys. Rev. B 70, 224101 (2004); (submitted version).
Structural lubricity: Role of dimension and symmetry
M. H. Müser,
Structural lubricity: Role of dimension and symmetry,
Europhys. Lett. 66, 97-103 (2004); cond-mat/0311182.
Quantum creep and quantum creep transitions in 1D sine-Gordon chains
F. R. Krajewski and M. H. Müser,
Quantum creep and quantum creep transitions in 1D sine-Gordon chains,
Phys. Rev. Lett. 92, art. no. 030601 (2004); cond-mat/0305050.
Lubricants under high local pressure: Liquids act like solids
M. H. Müser,
Lubricants under high local pressure: Liquids act like solids,
Mat.-wiss. u. Werkstofftech. 35, 603-609 (2004).
Sliding-induced non-equilibrium in confined systems
M. H. Müser,
Sliding-induced non-equilibrium in confined systems,
Mat. Res. Soc. Symp. Proc. 790, T2.2.1-T2.2.11 (2004); (preprint).
Nature of instabilities in boundary lubricants and their effect on kinetic friction
M. H. Müser and M. Aichele,
Nature of instabilities in boundary lubricants and their effect on kinetic friction,
in Dynamics and Friction at Sub-Micron Confining Systems, (ACS Symposium Series 882, Eds. Y. Braiman, J.M. Drake, F. Family, and J. Klafter (Oxford University Press, Oxford, 2004).
Wie geschmiert: Reibung in der Nanowelt
M. H. Müser,
Wie geschmiert: Reibung in der Nanowelt,
Physik Journal 3 (Nr. 6), 17-18 (2004).
Atomistic computer simulations of friction between solids
M. H. Müser and M. O. Robbins,
Atomistic computer simulations of friction between solids,
in Nanotechnology Handbook , pp. 717-738
Ed. B. Bhushan (Springer, Berlin, 2004).
Friction between polymer brushes in good solvent conditions
T. Kreer, K. Binder, and M. H. Müser,
Friction between polymer brushes in good solvent conditions: Steady-state sliding versus transient behavior,
Langmuir 19, 7551-7559 (2003).
Statistische Mechanik der Reibung und die Amontons’schen Gesetze
M. H. Müser,
Statistische Mechanik der Reibung und die Amontons’schen Gesetze,
Physik Journal 2 (Nr. 9), 43-48 (2003); (preprint).
Kinetic friction and atomistic instabilities in boundary-lubricated systems
M. Aichele and M. H. Müser,
Kinetic friction and atomistic instabilities in boundary-lubricated systems,
Phys. Rev. E 68 016125:1-14 (2003); cond-mat/0306091.
Statistical mechanics of static and low-velocity kinetic friction
M. H. Müser, M. Urbakh, and M. O. Robbins,
Statistical mechanics of static and low-velocity kinetic friction,
Adv. Chem. Phys. 126, 187-272 (2003). Available upon request.
High-pressure elasticity of alpha-quartz
M. H. Müser and P. Schöffel,
Comment on: “High-pressure elasticity of alpha-quartz: Instability and ferroelastic transition”,
Phys. Rev. Lett. 90, art. nr. 079701 (2003); cond-mat/0009379.
On the tribology and rheology of polymer brushes in good solvent conditions
T. Kreer and M. H. Müser,
On the tribology and rheology of polymer brushes in good solvent conditions: A molecular dynamics study,
Wear 254, 827-831 (2003).
Average structure vs. real structure
M. H. Müser,
Average structure vs. real structure: Molecular dynamics studies of silica,
in Particle Scattering, X-Ray Diffraction, and Microstructure of Solids and Liquids , Lecture Notes in Physics Vol. 610, pp. 75-100, K. A. Gernoth and M. L. Ristig (eds.), (Springer, Berlin, 2003); (preprint).
Atomistic simulations of solid friction
M. H. Müser,
Atomistic simulations of solid friction,
(invited chapter for) Lecture Notes in Physics Vol. 605, Bridging the Time Scales: Molecular Simulations for the Next Decade (Springer, Berlin, 2002); (pdf-preprint).
Nature of mechanical instabilities and their effect on kinetic friction
M. H. Müser,
Nature of mechanical instabilities and their effect on kinetic friction,
Phys. Rev. Lett. 89, art. nr. 224301 (2002); cond-mat/0204395.
Frictional drag between polymer bearing surfaces
T. Kreer, M. H. Müser and K. Binder,
Frictional drag between polymer bearing surfaces,
Comput. Phys. Comm. 147, 358-361 (2002).
On new efficient algorithms for PIMC and PIMD
M. H. Müser,
On new efficient algorithms for PIMC and PIMD,
Comput. Phys. Comm. 147, 83-86 (2002).
Towards an atomistic understanding of solid friction by computer simulations
M. H. Müser,
Towards an atomistic understanding of solid friction by computer simulations,
Comput. Phys. Comm. 146, 54-62 (2002).
Comparison of two non-primitive methods for path integral simulations
F. Krajewski and M. H. Müser,
Comparison of two non-primitive methods for path integral simulations: Higher-order corrections vs. an effective propagator approach,
Phys. Rev. B 65, 174304 (2002); preprint: cond-mat/0108183.
On quantum effects at the liquid fluid transition in Helium
M. H. Müser and E. Luijten,
On quantum effects at the liquid fluid transition in Helium,
J. Chem. Phys. 116, 1621-1628 (2002); cond-mat/0105283.
On frictional drag mechanisms between polymer bearing surfaces
T. Kreer, M. H. Müser, K. Binder, and J. Klein,
On frictional drag mechanisms between polymer bearing surfaces,
Langmuir 17, 7804 (2001).
Local order in beta-quartz and the displacive nature of the alpha-beta transition in quartz
M. H. Müser and K. Binder,
Local order in beta-quartz and the displacive nature of the alpha-beta transition in quartz: Molecular dynamics studies in the constant stress ensemble,
Phys. Chem. Miner. 28, 746-755 (2001).
Tribological behavior of very thin confined films
M. H. Müser,
Tribological behavior of very thin confined films,
Mat. Res. Soc. Symp. Proc. 651, T4.8.1-T4.8.6 (2001); cond-mat/0012100.
Elastic constants of quantum solids by path integral simulations
P. Schöffel and M. H. Müser,
Elastic constants of quantum solids by path integral simulations,
Phys. Rev. B 63, 224108 (2001); cond-mat/0009379 .
Friction laws for elastic nano-scale contacts
L. Wenning and M. H. Müser,
Friction laws for elastic nano-scale contacts,
Europhys. Lett. 54, 693-699 (2001); cond-mat/0010396.
Theory and simulations of friction between flat surfaces lubricated by submonolayers
M. H. Müser,
Theory and simulations of friction between flat surfaces lubricated by submonolayers,
in Fundamentals of Tribology and Bridging the Gap between Macro- and Micro/Nanoscales, pp. 235-240
Ed. B. Bhushan (Kluwer Academic Publishers, Netherlands, 2001).
Material properties of quartz below the Debye temperature
M. H. Müser,
Material properties of quartz below the Debye temperature:
A path-integral molecular dynamics study,
J. Chem. Physics 114, 6364 (2001); cond-mat/0011137.
Dry friction between flat surfaces
M. H. Müser,
Dry friction between flat surfaces: Wearless multistable elasticity vs. material transfer and plastic deformation,
Tribol. Lett. 10, 15-22 (2001); ( preprint).
Simple microscopic theory of Amontons’ laws for static friction
M. H. Müser, L. Wenning, and M. O. Robbins,
Simple microscopic theory of Amontons’ laws for static friction,
Phys. Rev. Lett. 86, 1295 (2001); cond-mat/0004494.
Computer Simulations of friction, lubrication and wear
M. O. Robbins and M. H. Müser,
Computer Simulations of friction, lubrication and wear,
invited review article in Modern Tribology Handbook, pp. 717-765
Ed. B. Bhushan (CRC Press, Boca Raton, FL, 2001); cond-mat/0001056.
Path integral Monte Carlo simulation of silicates
Chr. Rickwardt, P. Nielaba, M. H. Müser, and K. Binder,
Path integral Monte Carlo simulation of silicates,
Phys. Rev. B 63, 045204 (2001); cond-mat/0010315.
Conditions for static friction between flat, crystalline surfaces
M. H. Müser and M. O. Robbins,
Conditions for static friction between flat, crystalline surfaces,
Phys. Rev. B 61, 2335 (2000).
A fresh look at Amontons’ laws
M. H. Müser, L. Wenning, G. He, and M. O. Robbins,
A fresh look at Amontons’ laws: The importance of mobile molecules between surfaces for static friction,
in Tribology on the 300th anniversary of Amontons’ law (MRS Workshop Series, Warrendale PA, 1999).
Second-order reentrant phase transition in the quantum anisotropic planar rotor model
B. Hetenyi, M. H. Müser, and B. J. Berne,
Second-order reentrant phase transition in the quantum anisotropic planar rotor model,
Phys. Rev. Lett. 83, 4606 (1999).
Adsorbed layers and the origin of static friction
G. He, M. H. Müser, and M. O. Robbins,
Adsorbed layers and the origin of static friction,
Science 284, 1650 (1999).
Path-integral simulations for rotors: Theory and applications
D. Marx and M. H. Müser,
Path-integral simulations for rotors: Theory and applications,
invited review article in J. Phys.: Condens. Matter 11, R117-R155 (1999).
Orientational quantum melting and reentrance of linear rotors pinned onto surfaces
M. H. Müser and J. Ankerhold,
Orientational quantum melting and reentrance of linear rotors pinned onto surfaces,
Europhys. Lett. 44, 216 (1998).
Zero-temperature phase transitions in molecular solids by diffusion Monte Carlo
M. H. Müser,
Zero-temperature phase transitions in molecular solids by diffusion Monte Carlo,
in Computer Simulation Studies in Condensed Matter Physics XI
Eds. D. P. Landau, K. K. Mon, and H. B. Schüttler (Springer Verlag, Berlin, 1998).
Computer simulations of a Lennard-Jones model for ArN2 mixtures
M. H. Müser, D. Löding, P. Nielaba, and K. Binder,
Computer simulations of a Lennard-Jones model for ArN2 mixtures: A prototype system for quadrupolar glasses,
Ferroelectrics 208-209, 293-327 (1998).
Circumventing the pathological behavior of path-integral Monte Carlo for systems with Coulomb potentials
M. H. Müser and B. J. Berne,
Circumventing the pathological behavior of path-integral Monte Carlo for systems with Coulomb potentials,
J. Chem. Phys. 107, 571 (1997).
Role of translation-rotation coupling on phase diagrams of N2-solids and related systems
D. Löding, M. H. Müser, and P. Nielaba,
Role of translation-rotation coupling on phase diagrams of N2-solids and related systems,
Z. Phys. B – Condensed Matter 102, 505 (1997).
The path-integral Monte Carlo method for rotational degrees of freedom
M. H. Müser,
The path-integral Monte Carlo method for rotational degrees of freedom,
in Computer Simulation Studies in Condensed Matter Physics IX
Eds. D.P. Landau, K.K. Mon, and H.B. Schüttler (Springer Verlag, Berlin, 1997).
The path-integral Monte Carlo of rigid linear molecules in three dimensions
M. H. Müser,
The path-integral Monte Carlo of rigid linear molecules in three dimensions,
Molecular Simulation 17, 131 (1996). (preprint)
The path-integral Monte Carlo scheme for rigid tops
M. H. Müser and B. J. Berne,
The path-integral Monte Carlo scheme for rigid tops: Application to quantum rotator phase transition in solid methane,
Phys. Rev. Lett. 77, 2638 (1996).
The path-integral Monte Carlo of rigid linear molecules in three dimensions
M. H. Müser,
The path-integral Monte Carlo of rigid linear molecules in three dimensions,
Molecular Simulation 17, 131 (1996). (preprint)
Computer simulation of a quadrupolar glass
M. H. Müser,
Computer simulation of a quadrupolar glass,
J. Phys.: Condens. Matter 8, 913 (1996).
Gradual freezing of orientational degrees of freedom in cubic ArN2 mixtures
M. H. Müser and P. Nielaba,
Gradual freezing of orientational degrees of freedom in cubic ArN2 mixtures,
Phys. Rev. B 52, 7201 (1995).
Path-integral Monte Carlo of crystalline Lennard-Jones systems
M. H. Müser, P. Nielaba, and K. Binder,
Path-integral Monte Carlo of crystalline Lennard-Jones systems,
Phys. Rev. B 51, 2723 (1995).
Two-dimensional motion as a multichannel reaction by computer simulation
M. H. Müser and G. Ciccotti,
Two-dimensional motion as a multichannel reaction by computer simulation,
J. Chem. Phys. 51, 4273 (1995)
Low-temperature anharmonic lattice deformations near rotator impurities
M. H. Müser, W. Helbing, P. Nielaba, and K. Binder,
Low-temperature anharmonic lattice deformations near rotator impurities: A quantum Monte Carlo approach,
Phys. Rev. E 49, 3956 (1994).