E
Eric D. Hermes
Researcher at University of Wisconsin-Madison
Publications - 6
Citations - 2453
Eric D. Hermes is an academic researcher from University of Wisconsin-Madison. The author has contributed to research in topics: Catalysis & Heterogeneous catalysis. The author has an hindex of 4, co-authored 5 publications receiving 1536 citations.
Papers
More filters
Journal ArticleDOI
The Atomic Simulation Environment - A Python library for working with atoms
Ask Hjorth Larsen,Ask Hjorth Larsen,Jens Jørgen Mortensen,Jakob Blomqvist,Ivano E. Castelli,Rune Christensen,Marcin Dulak,Jesper Friis,Michael N. Groves,Bjørk Hammer,Cory Hargus,Eric D. Hermes,Paul C. Jennings,Peter Bjerre Jensen,James R. Kermode,John R. Kitchin,Esben L. Kolsbjerg,Joseph Kubal,Kristen Kaasbjerg,Steen Lysgaard,Jon Bergmann Maronsson,Tristan Maxson,Thomas Olsen,Lars Pastewka,Andrew A. Peterson,Carsten Rostgaard,Jakob Schiøtz,Ole Schütt,Mikkel Strange,Kristian Sommer Thygesen,Tejs Vegge,Lasse B. Vilhelmsen,Michael Walter,Zhenhua Zeng,Karsten Wedel Jacobsen +34 more
TL;DR: The atomic simulation environment (ASE) provides modules for performing many standard simulation tasks such as structure optimization, molecular dynamics, handling of constraints and performing nudged elastic band calculations.
Journal ArticleDOI
Electrocatalytic Production of H 2 O 2 by Selective Oxygen Reduction Using Earth-Abundant CobaltPyrite (CoS 2 )
Hongyuan Sheng,Eric D. Hermes,Xiaohua Yang,Xiaohua Yang,Diwen Ying,Diwen Ying,Aurora N. Janes,Wenjie Li,J. R. Schmidt,Song Jin +9 more
TL;DR: In this paper, the authors proposed a decentralized on-site production of hydrogen peroxide (H2O2) relies on efficient, robust, and inexpensive electrocatalysts for the selective two-electron (2e-) oxygen reduction reaction (ORR).
Journal ArticleDOI
Decoupling the electronic, geometric and interfacial contributions to support effects in heterogeneous catalysis
TL;DR: In this article, the role of the oxide support in modulating the activity and selectivity of common oxide-supported transition metal heterogeneous catalysts is examined, using representative models of various suppor...
Journal ArticleDOI
Micki: A python-based object-oriented microkinetic modeling code.
TL;DR: A flexible, general-purpose microkinetic modeling code, Micki, to analyze complex, heterogeneously catalyzed chemical reactions based upon first-principles calculations, and can quantitatively reproduce experimental turnover frequencies with minimal empirical optimization.
Journal ArticleDOI
Mechanistic Insights into Solution-Phase Oxidative Esterification of Primary Alcohols on Pd(111) from First-Principles Microkinetic Modeling
TL;DR: In this paper, an ab initio microkinetic model for the oxidative esterification of 1-propanol to methyl propionate over Pd(111) was presented.