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Matthew L Brown

6PUBLICATIONS

3CO-AUTHORS

Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Computational chemistryStatistical mechanics in chemistryTheoretical quantum chemistry

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Publications (6)

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|Dec 19, 2024

A computationally efficient quasi-harmonic study of ice polymorphs using the FFLUX force field.

Alexandra Pák, Matthew L Brown, Paul L A Popelier

|Sep 20, 2024

Toward Gaussian Process Regression Modeling of a Urea Force Field.

Tomasz Bukowy, Matthew L Brown, Paul L A Popelier

|Jul 09, 2024

Incorporating Noncovalent Interactions in Transfer Learning Gaussian Process Regression Models for Molecular Simulations.

Matthew L Brown, Bienfait K Isamura, Jonathan M Skelton

|May 28, 2024

Transferability of Buckingham Parameters for Short-Range Repulsion between Topological Atoms.

Jaiming J K Chung, Matthew L Brown, Paul L A Popelier

|Oct 17, 2023

Application of the FFLUX Force Field to Molecular Crystals: A Study of Formamide.

Matthew L Brown, Jonathan M Skelton, Paul L A Popelier

|Feb 09, 2023

Construction of a Gaussian Process Regression Model of Formamide for Use in Molecular Simulations.

Matthew L Brown, Jonathan M Skelton, Paul L A Popelier

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Frequent Collaborators

5 joint publications

Paul L A Popelier

3 joint publications

Jonathan M Skelton

1 joint publications

Alexandra Pák

Frequent Collaborators

5 joint publications

Paul L A Popelier

3 joint publications

Jonathan M Skelton

1 joint publications

Alexandra Pák

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