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Christopher Knight

Assistant Computational Scientist

Argonne National Laboratory

United States

Research Interests

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Articles (7)

Year:

2026

Year:

2025

Year:

2025

Year:

2024

Year:

2024

Year:

2023

Year:

2023

Collaborators (5)

David Dubbeldam

associate Professor

NETHERLANDS

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Francesco Paesani

Professor

University of California, San Diego

UNITED STATES

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Kaihang Shi

Assistant Professor

University at Buffalo

UNITED STATES

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Rishu Khurana

University of Chicago

UNITED STATES

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Abhishek Bagusetty

Argonne National Laboratory

UNITED STATES

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Christopher Knight

Research Interests

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Articles (7)

Memory-aware SIMD-enabled permutationally invariant polynomial code-generation procedure: Application to the MB-pol water potential

Enabling Multireference Calculations on Multimetallic Systems with Graphic Processing Units

MBX V1.2: Accelerating Data-Driven Many-Body Molecular Dynamics Simulations

Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials

Early Application Experiences on Aurora at ALCF: Moving From Petascale to Exascale Systems

MBX: A many-body energy and force calculator for data-driven many-body simulations

Large-scale molecular dynamics simulations of bubble collapse in water: Effects of system size, water model, and nitrogen

Collaborators (5)

David Dubbeldam

Francesco Paesani

Kaihang Shi

Rishu Khurana

Abhishek Bagusetty

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