A new function for local structure characterization

A mixed radial, angular, three-body distribution function as a tool for local structure characterization: Application to single-component structures
Sergey V. Sukhomlinov and Martin H. Müser,
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)

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) .

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