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Christopher Knight

Argonne National Laboratory

26H-index
8Paper Count
2.8KCitation Count
Published Papers 7
Publication Date
Enabling Multireference Calculations on Multimetallic Systems with Graphic Processing Units
err2025-07-17
err0
PREAI
errValay Agarawal; Rishu Khurana; Cong Liu; Matthew R. Hermes; Christopher Knight; Laura Gagliardi
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MBX V1.2: Accelerating Data-Driven Many-Body Molecular Dynamics Simulations
err2025-02-14
err0
PREAI
errGupta, Shreya; Bull-Vulpe, Ethan F.; Agnew, Henry; Iyer, Shishir; Zhu, Xuanyu; Zhou, Ruihan; Knight, Christopher; Paesani, Francesco
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Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials
err2024-11-19
err2
PREAI
errLi, Zhao; Shi, Kaihang; Dubbeldam, David; Dewing, Mark; Knight, Christopher; Vazquez-Mayagoitia, Alvaro; Snurr, Randall Q.
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Large-scale molecular dynamics simulations of bubble collapse in water: Effects of system size, water model, and nitrogen
err2023-12-14
err6
errOAAI
errChen, Jingyi L.; Prelesnik, Jesse L.; Liang, Buyun; Sun, Yangzesheng; Bhatt, Mrugank; Knight, Christopher; Mahesh, Krishnan; Siepmann, J. Ilja
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MBX: A many-body energy and force calculator for data-driven many-body simulations
err2023-08-01
err22
PREAI
errRiera, Marc; Knight, Christopher; Bull-Vulpe, Ethan F.; Zhu, Xuanyu; Agnew, Henry; Smith, Daniel G. A. C.; Simmonett, Andrew; Paesani, Francesco
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The behavior of methane-water mixtures under elevated pressures from simulations using many-body potentials
err2022-05-18
err11
errOAAI
errRobinson, Victor Naden; Ghosh, Raja; Egan, Colin K.; Riera, Marc; Knight, Christopher; Paesani, Francesco; Hassanali, Ali
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