Andreas W Götz

25PUBLICATIONS
56CO-AUTHORS
Data visualisation and computational (incl. parametric and generative) designProcedural content generationFormal methods for softwareCheminformatics and quantitative structure-activity relationshipsComputational chemistry
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Publications (25)

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

Alejandro Blanco-Gonzalez, William Betancourt, Ryan Michael Snyder

|Mar 06, 2026
QUICK and Robust ESP and RESP Charges for Computational Biochemistry: Open-Source GPU Implementation.

Vikrant Tripathy, Etienne Palos, Kenneth M Merz

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

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

|Apr 25, 2025
The QDπ dataset, training data for drug-like molecules and biopolymer fragments and their interactions.

Jinzhe Zeng, Timothy J Giese, Andreas W Götz

|Jun 10, 2024
Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials.

Yujun Tao, Timothy J Giese, Şölen Ekesan

|Oct 23, 2023
Geometry Optimization: A Comparison of Different Open-Source Geometry Optimizers.

Akhil Shajan, Madushanka Manathunga, Andreas W Götz

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Frequent Collaborators

10 joint publications

Kenneth M Merz

8 joint publications

Madushanka Manathunga

5 joint publications

Vinícius Wilian D Cruzeiro

4 joint publications

Wen-Ge Han Du