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E

Eric Hermes

united states department of energy (doe)

11H-index
32Paper Count
5.2KCitation Count
Published Papers 10
Publication Date
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Analytical ab initio hessian from a deep learning potential for transition state optimization
errNATURE COMMUNICATIONS
IF15.7
err2024-10-14
err0
errOAAI
errYuan, Eric C. -Y.; Kumar, Anup; Guan, Xingyi; Hermes, Eric D.; Rosen, Andrew S.; Zador, Judit; Head-Gordon, Teresa; Blau, Samuel M.
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GPAW: An open Python package for electronic structure calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-03-07
err58
errOAAI
errMortensen, Jens Jorgen; Larsen, Ask Hjorth; Kuisma, Mikael; Ivanov, Aleksei V.; Taghizadeh, Alireza; Peterson, Andrew; Haldar, Anubhab; Dohn, Asmus Ougaard; Schafer, Christian; Jonsson, Elvar Orn; Hermes, Eric D.; Nilsson, Fredrik Andreas; Kastlunger, Georg; Levi, Gianluca; Jonsson, Hannes; Hakkinen, Hannu; Fojt, Jakub; Kangsabanik, Jiban; Sodequist, Joachim; Lehtomaki, Jouko; Heske, Julian; Enkovaara, Jussi; Winther, Kirsten Trostrup; Dulak, Marcin; Melander, Marko M.; Ovesen, Martin; Louhivuori, Martti; Walter, Michael; Gjerding, Morten; Lopez-Acevedo, Olga; Erhart, Paul; Warmbier, Robert; Wuerdemann, Rolf; Kaappa, Sami; Latini, Simone; Boland, Tara Maria; Bligaard, Thomas; Skovhus, Thorbjorn; Susi, Toma; Maxson, Tristan; Rossi, Tuomas; Chen, Xi; Schmerwitz, Yorick Leonard A.; Schiotz, Jakob; Olsen, Thomas; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer
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errSave
PyntaAn Automated Workflow for Calculation of Surface and Gas-Surface Kinetics
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-08-10
err5
errOAAI
errJohnson, Matthew S.; Gierada, Maciej; Hermes, Eric D.; Bross, David H.; Sargsyan, Khachik; Najm, Habib N.; Zador, Judit
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errSave
Sella, an Open-Source Automation-Friendly Molecular Saddle Point Optimizer
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-10-18
err13
PREAI
errHermes, Eric D.; Sargsyan, Khachik; Najm, Habib N.; Zador, Judit
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errSave
Geometry optimization speedup through a geodesic approach to internal coordinates
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-09-07
err10
errOAAI
errHermes, Eric D.; Sargsyan, Khachik; Najm, Habib N.; Zador, Judit
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errSave
Accelerated Saddle Point Refinement through Full Exploitation of Partial Hessian Diagonalization
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-10-15
err24
errOAAI
errHermes, Eric D.; Sargsyan, Khachik; Najm, Habib N.; Zadore, Judit
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errSave
Electrocatalytic Production of H2O2 by Selective Oxygen Reduction Using Earth-Abundant Cobalt Pyrite (CoS2)
errACS CATALYSIS
IF13.1
err2019-08-01
err204
PREAI
errSheng, Hongyuan; Hermes, Eric D.; Yang, Xiaohua; Ying, Diwen; Janes, Aurora N.; Li, Wenjie; Schmidt, J. R.; Jin, Song
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errSave
Micki: A python-based object-oriented microkinetic modeling code
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-07-03
err21
PREAI
errHermes, Eric D.; Janes, Aurora N.; Schmidt, J. R.
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errSave
Mechanistic Insights into Solution-Phase Oxidative Esterification of Primary Alcohols on Pd(111) from First-Principles Microkinetic Modeling
errACS CATALYSIS
IF13.1
err2017-12-05
err10
PREAI
errHermes, Eric D.; Janes, Aurora N.; Schmidt, J. R.
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errSave
Roles of Monomer Binding and Alkoxide Nucleophilicity in Aluminum-Catalyzed Polymerization of ε-Caprolactone
errMACROMOLECULES
IF5.2
err2012-06-18
err82
PREAI
errDing, Keying; Miranda, Maria O.; Moscato-Goodpaster, Beth; Ajellal, Noureddine; Breyfogle, Laurie E.; Hermes, Eric D.; Schaller, Chris P.; Roe, Stephanie E.; Cramer, Christopher J.; Hillmyer, Marc A.; Tolman, William B.
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Research Directions

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Co-authors
Cooperation Journals
S
Song Jin
H-index: 120 · Papers: 506
M
Marc A. Hillmyer
H-index: 117 · Papers: 812
C
Christopher J. Cramer
H-index: 110 · Papers: 864
W
William B. Tolman
H-index: 91 · Papers: 719
H
Hannu Häkkinen
H-index: 88 · Papers: 526
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