João M Damas

2PUBLICATIONS
5CO-AUTHORS
Theoretical quantum chemistryFormal methods for software
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Publications (2)

|Jul 20, 2019
A Scalable Molecular Force Field Parameterization Method Based on Density Functional Theory and Quantum-Level Machine Learning.

Raimondas Galvelis, Stefan Doerr, João M Damas

|Jul 21, 2017
High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMD.

Stefan Doerr, Toni Giorgino, Gerard Martínez-Rosell

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