307 citations · 1k across the 25 of their papers we have counts for
28 papers
FlashCart: Fast Cartesian Tensor Products for Equivariant Interatomic Potentials
Viktor Zaverkin, Payman Goodarzi, Sergey V. Sukhomlinov +4
Machine-learned interatomic potentials extend atomistic simulations beyond the length- and timescales accessible to electronic-structure methods. However, the computational cost of…
Granite sliding on granite: friction, wear rates, surface topography, and the scale-dependence of rate-state effects
Sergey V. Sukhomlinov, Martin H. Müser, B. N. J. Persson
We study tribological granite-granite contacts as a model for tectonic faulting, combining experiments, theory, and molecular dynamics simulations. The high friction in this system…
Computing finite--temperature elastic constants with noise cancellation
Debashish Mukherji, Marcus Müller, Martin H. Müser
Elastic constants are central material properties, frequently reported in experimental and theoretical studies. While their computation is straightforward in the absence of thermal…
Finite-temperature properties of the Frenkel-Kontorova model: Relation to tribological systems and fluid rheology
Shubham Agarwal, Martin H. Müser
The Frenkel-Kontorova model is a simple yet generic framework for the description of tribological phenomena and processes, including dry solid friction and the motion of adsorbed l…
Advanced Langevin thermostats: Properties, extensions to rheology, and a lean momentum-conserving approach
Shubham Agarwal, Sergey V. Sukhomlinov, Marc Honecker +1
The Langevin equation accounts for unresolved bath degrees of freedom driving the system toward the bath temperature. Because of this, numerical solutions of the Langevin equation…
Dissipative split-charge formalism: Ohm's law, Nyquist noise, and non-contact friction
Martin H. Müser
The split-charge equilibration method is extended to describe dissipative charge transfer similarly as the Drude model, whereby the generic frequency-dependent dielectric permitivi…