Yan M H Gonçalves

2PUBLICATIONS
1CO-AUTHORS
Statistical mechanics in chemistryTheoretical quantum chemistry
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Publications (2)

|Jan 12, 2023
gmak: A Parameter-Space Mapping Strategy for Force-Field Calibration.

Yan M H Gonçalves, Bruno A C Horta

|Feb 08, 2022
Simultaneous parametrization of torsional and third-neighbor interaction terms in force-field development: The LLS-SC algorithm.

Yan M H Gonçalves, Sadra Kashefolgheta, Marina P Oliveira

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Frequent Collaborators

1 joint publications

Bruno A C Horta