12 citations · 15 across the 10 of their papers we have counts for
3 papers · 1 filter
Scalable Training of Neural Network Potentials for Complex Interfaces Through Data Augmentation
In Won Yeu, Annika Stuke, Jon L. pez-Zorrilla +5
Artificial neural network (ANN) potentials enable highly accurate atomistic simulations of complex materials at unprecedented scales. Despite their promise, training ANN potentials…
Coupling of Electronic Transitions to Ferroelectric Order in a 2D Semiconductor
Chun-Ying Huang, Daniel G. Chica, Zhi-Hao Cui +16
A ferroelectric material often exhibits a soft transvers optical (TO) phonon mode which governs it phase transition. Charge coupling to this ferroelectric soft mode may further med…
Microscopic Phase-Field Modeling
Jaehyeok Jin, David R. Reichman
Phase-field methods offer a versatile computational framework for simulating large-scale morphological evolution. However, the applicability and predictability of phase-field model…