most citedPath-integral molecular dynamics with actively-trained and universal machine learning force fields

1 citations · 1 across the 2 of their papers we have counts for

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2 papers

cond-mat.mtrl-sci2025★ 1 cited

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)…

cond-mat.mtrl-sci2025

Tuning Thermal Conductivity and Electron-Phonon Interactions in Carbon and Boron Nitride Moiré Diamanes via Twist Angle Manipulation

Rustam Arabov, Nikita Rybin, Victor Demin +4

We have investigated the effect of interlayer twist angle on lattice thermal conductivity (LTC) and band gap renormalization in boron nitride and carbon Moiré diamanes. Moment tens…