Eric D Hermes
5PUBLICATIONS
50CO-AUTHORS
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Publications (5)
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|Oct 14, 2024
Analytical ab initio hessian from a deep learning potential for transition state optimization.Eric C-Y Yuan, Anup Kumar, Xingyi Guan
|Mar 07, 2024
GPAW: An open Python package for electronic structure calculations.Jens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma
|Aug 10, 2023
Pynta─An Automated Workflow for Calculation of Surface and Gas-Surface Kinetics.Matthew S Johnson, Maciej Gierada, Eric D Hermes
|Oct 18, 2022
Sella, an Open-Source Automation-Friendly Molecular Saddle Point Optimizer.Eric D Hermes, Khachik Sargsyan, Habib N Najm
|Oct 16, 2019
Accelerated Saddle Point Refinement through Full Exploitation of Partial Hessian Diagonalization.Eric D Hermes, Khachik Sargsyan, Habib N Najm
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Frequent Collaborators
4 joint publications
Judit Zádor
1 joint publications
Matthew S Johnson
1 joint publications
David H Bross
1 joint publications
Habib N Najm
1 joint publications
Jens Jørgen Mortensen
1 joint publications
Ask Hjorth Larsen
1 joint publications
Mikael Kuisma
1 joint publications
Aleksei V Ivanov
1 joint publications
Alireza Taghizadeh
1 joint publications
Andrew Peterson
