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20232026
most citedScore dynamics: scaling molecular dynamics with picoseconds timestep via conditional diffusion model

2 citations · 5 across the 7 of their papers we have counts for

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cond-mat.mtrl-sci2026

MOSAIC: Addressing Space for Local, Steerable, and Scalable Atomistic Generation

Ishan Nadkarni, Sebastien Hamel, Flynn Walsh +1

Generative models are opening new possibilities in molecular discovery and materials science. Realizing this potential, however, requires both local control over atomic placement a…

cond-mat.mtrl-sci2026

Extracting Atomic Environments for Machine Learning Interatomic Potentials

Jared C. Stimac, Fei Zhou, Kyle Bushick +4

In order to appropriately capture large-scale material features and emergent phenomena via atomistic simulations, such as Molecular Dynamics (MD), the system scale can range up to…