Atomistic simulations of out-of-equilibrium quantum nuclear dynamics

Nature·Apr 16

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1

Influence of nuclear quantum effects on metastable states of warm dense hydrogen

Nature·Apr 20

2

New Quantum Algorithm Could Explain Why Matter Exists at All

SciTechDaily·Nov 16

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Electric-field driven nuclear dynamics of liquids and solids from a multi-valued machine-learned dipolar model

Nature·Oct 13

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Advanced quantum and semiclassical methods for simulating photoinduced molecular dynamics and spectroscopy

Wiley Interdisciplinary Reviews·Oct 9

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Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragments

Science | AAAS·Apr 5

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Atomistic insights into EUV photoresist photolysis via full temporal dynamics

Nature·Apr 27

7

Breaking the Barriers of Molecular Dynamics With Deep-Learning: Opportunities, Pitfalls, and How to Navigate Them

Wiley Interdisciplinary Reviews·Jan 23

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Force-free molecular dynamics through autoregressive equivariant networks

Nature·May 5