Timothy J Giese

23PUBLICATIONS
69CO-AUTHORS
Data visualisation and computational (incl. parametric and generative) designFormal methods for softwareDeep learningBioinformatic methods developmentComputational chemistry
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Publications (23)

|Mar 09, 2026
Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization.

Alejandro Blanco-Gonzalez, William Betancourt, Ryan Michael Snyder

|Jul 29, 2025
Recent Developments in Amber Biomolecular Simulations.

David A Case, David S Cerutti, Vinícius Wilian D Cruzeiro

|May 26, 2025
Transferability of MACE Graph Neural Network for Range Corrected Δ-Machine Learning Potential QM/MM Applications.

Timothy J Giese, Jinzhe Zeng, Darrin M York

|May 21, 2025
FE-ToolKit: A Versatile Software Suite for Analysis of High-Dimensional Free Energy Surfaces and Alchemical Free Energy Networks.

Timothy J Giese, Ryan Snyder, Zeke Piskulich

|May 02, 2025
DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials.

Jinzhe Zeng, Duo Zhang, Anyang Peng

|Mar 28, 2025
DeePMD-GNN: A DeePMD-kit Plugin for External Graph Neural Network Potentials.

Jinzhe Zeng, Timothy J Giese, Duo Zhang

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Frequent Collaborators

23 joint publications

Darrin M York

11 joint publications

Jinzhe Zeng

7 joint publications

Tai-Sung Lee

7 joint publications

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