3 citations · 4 across the 6 of their papers we have counts for
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Anisotropic Phonon Dynamics and Directional Transport in Actinide van der Waals Semiconductor USe
Aljoscha Söll, Valentino Jadrisko, Sourav Dey +13
Direction-dependent charge transport and optical responses are characteristic of van der Waals (vdW) materials with strong in-plane anisotropy. While transition-metal trichalcogeni…
Path-integral molecular dynamics with actively-trained and universal machine learning force fields
A. A. Solovykh, N. E. Rybin, I. S. Novikov +1
Accounting for nuclear quantum effects (NQEs) can significantly alter material properties at finite temperatures. Atomic modeling using the path-integral molecular dynamics (PIMD)…
ProME: An Integrated Computational Platform for Material Properties at Extremes and Its Application in Multicomponent Alloy Design
Xingyu Gao, William Yi Wang, Xin Chen +8
We have built an integrated computational platform for material properties at extreme conditions, ProME (Professional Materials at Extremes) v1.0, which enables integrated calculat…