R
Richard G. Hennig
Researcher at University of Florida
Publications - 208
Citations - 14107
Richard G. Hennig is an academic researcher from University of Florida. The author has contributed to research in topics: Density functional theory & Quantum Monte Carlo. The author has an hindex of 54, co-authored 191 publications receiving 10831 citations. Previous affiliations of Richard G. Hennig include Cornell University & Fuji Heavy Industries.
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Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways.
Kiran Mathew,Ravishankar Sundararaman,Kendra Letchworth-Weaver,Tomas Arias,Richard G. Hennig +4 more
TL;DR: This work implements an implicit solvation model that has a firm theoretical foundation into the widely used density-functional code Vienna ab initio Software Package and finds that solvation reduces the surface energies of the nanocrystals and increases the energy barrier of the SN2 reaction.
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Single-Layer Group-III Monochalcogenide Photocatalysts for Water Splitting
TL;DR: In this paper, a first-principles design approach was used to determine that the single-layer group-III monochalcogenides exhibit low formation energies and are suitable for photocatalytic water splitting.
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Computational Screening of 2D Materials for Photocatalysis
Arunima K. Singh,Kiran Mathew,Kiran Mathew,Houlong L. Zhuang,Richard G. Hennig,Richard G. Hennig +5 more
TL;DR: A computational screening approach is reviewed to rapidly and efficiently discover more 2D materials that possess properties suitable for solar water splitting and discusses future research directions and needed method developments for the computational design and optimization of 2D material for photocatalysis.
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Computational Search for Single-Layer Transition-Metal Dichalcogenide Photocatalysts
TL;DR: In this article, the stability of single-layer transition-metal dichalcogenides has been studied and their potential for photocatalytic water splitting has been determined. But the authors focus on the stability and stability of the dichalcanogenides and determine their potential to be used in photocatalysis.
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Alleviation of the Fermion-sign problem by optimization of many-body wave functions
TL;DR: In this article, a method for optimizing all parameters of many-body wave functions in quantum Monte Carlo calculations, applicable to continuum systems and lattice models, is presented, based on a strong zero-variance principle.