Nathan S Abraham

5PUBLICATIONS
66CO-AUTHORS
Computational chemistryBiomolecular modelling and designStatistical mechanics in chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Publications (5)

|Oct 17, 2024
The seventh blind test of crystal structure prediction: structure ranking methods.

Lily M Hunnisett, Nicholas Francia, Jonas Nyman

|Oct 15, 2024
The seventh blind test of crystal structure prediction: structure generation methods.

Lily M Hunnisett, Jonas Nyman, Nicholas Francia

|Aug 05, 2022
Efficient Crystal Structure Prediction for Structurally Related Molecules with Accurate and Transferable Tailor-Made Force Fields.

Alessandra Mattei, Richard S Hong, Hanno Dietrich

|Sep 03, 2020
Statistical Mechanical Approximations to More Efficiently Determine Polymorph Free Energy Differences for Small Organic Molecules.

Nathan S Abraham, Michael R Shirts

|Oct 04, 2018
Thermal Gradient Approach for the Quasi-harmonic Approximation and Its Application to Improved Treatment of Anisotropic Expansion.

Nathan S Abraham, Michael R Shirts

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Frequent Collaborators

2 joint publications

Michael R Shirts

2 joint publications

Richard I Cooper

2 joint publications

Graeme M Day

2 joint publications

Nicholas Francia