Kenneth Merz

169PUBLICATIONS
283CO-AUTHORS
Statistical mechanics, physical combinatorics and mathematical aspects of condensed matterTheoretical quantum chemistryData visualisation and computational (incl. parametric and generative) designProcedural content generationFormal methods for software
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Publications (169)

|Jun 15, 2026
Quantum-Centric Alchemical Free Energy Calculations.

|Jun 04, 2026
Molecular Quantum Computations on a Protein.

|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

|Nov 05, 2025
PEAS: An Application for Autonomous Precision Conformation Sampling.

Mithony Keng, Kenneth M Merz

|Oct 13, 2025
Accurate quantum-centric simulations of intermolecular interactions.

Danil Kaliakin, Akhil Shajan, Fangchun Liang

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Frequent Collaborators

76 joint publications

Courtney C Aldrich

76 joint publications

Carolyn Bertozzi

76 joint publications

Gunda I Georg

76 joint publications

Laura Kiessling