Christopher Knight

12PUBLICATIONS
37CO-AUTHORS
Metal cluster chemistryOptimisationFormal methods for softwareProcedural content generationMicrofluidics and nanofluidics
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Publications (12)

|Oct 27, 2026
Spin Manifolds in the [Fe4S4(SCH3)4]2- Cluster from Localized Active Space State Interaction Singles and Pair-Density Functional Theory.

|Jul 17, 2025
Enabling Multireference Calculations on Multimetallic Systems with Graphic Processing Units.

Valay Agarawal, Rishu Khurana, Cong Liu

|Feb 14, 2025
MBX V1.2: Accelerating Data-Driven Many-Body Molecular Dynamics Simulations.

Shreya Gupta, Ethan F Bull-Vulpe, Henry Agnew

|Nov 19, 2024
Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials.

Zhao Li, Kaihang Shi, David Dubbeldam

|Dec 14, 2023
Large-scale molecular dynamics simulations of bubble collapse in water: Effects of system size, water model, and nitrogen.

Jingyi L Chen, Jesse L Prelesnik, Buyun Liang

|Aug 01, 2023
MBX: A many-body energy and force calculator for data-driven many-body simulations.

Marc Riera, Christopher Knight, Ethan F Bull-Vulpe

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Frequent Collaborators

5 joint publications

Francesco Paesani

2 joint publications

Cong Liu

2 joint publications

Valay Agarawal

2 joint publications

Laura Gagliardi