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20132026
most citedANI-1: An extensible neural network potential with DFT accuracy at force field computational cost

2.1k citations · 3.9k across the 15 of their papers we have counts for

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Showing 2021Show all

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physics.comp-ph2021

Quantum-based Molecular Dynamics Simulations Using Tensor Cores

Joshua Finkelstein, Justin S. Smith, Susan M. Mniszewski +4

Tensor cores, along with tensor processing units, represent a new form of hardware acceleration specifically designed for deep neural network calculations in artificial intelligenc…

physics.comp-ph2021★ 18 cited

Mixed Precision Fermi-Operator Expansion on Tensor Cores From a Machine Learning Perspective

Joshua Finkelstein, Justin Smith, Susan M. Mniszewski +4

We present a second-order recursive Fermi-operator expansion scheme using mixed precision floating point operations to perform electronic structure calculations using tensor core u…