Concepedia

Daniel Sheppard

DS

14

Publications

3.6K

Citations

14

H-Index

2002

Active since

Affiliations

Los Alamos National Laboratory(Current)

The University of Texas at Austin

Sandia National Laboratories

Yale University

University of California, Davis

Daniel Sheppard is an author at Los Alamos National Laboratory specializing in engineering, chemistry, and computational chemistry.

Top concepts

EngineeringChemistryNatural SciencesPhysical ChemistryComputational ChemistryQuantum ChemistryPhysicsApplied PhysicsMaterial ScienceMolecular Dynamics

Publications per year

2002–2021

14

Publications

14

Optimization methods for finding minimum energy paths

Daniel Sheppard, Rye Terrell, Graeme Henkelman · The Journal of Chemical Physics · 2008 · 1.8K citations

Numerical Analysis, Engineering, Variational Analysis +19

A generalized solid-state nudged elastic band method

Daniel Sheppard, Penghao Xiao, William D. Chemelewski et al. · The Journal of Chemical Physics · 2012 · 1.1K citations

Solid-state dimer method for calculating solid-solid phase transitions

Penghao Xiao, Daniel Sheppard, Jutta Rogal et al. · The Journal of Chemical Physics · 2014 · 169 citations · Full text

Phase Transitions, Engineering, Potential Energy Surface +17

Optimizing transition states via kernel-based machine learning

Zachary D. Pozun, Katja Hansen, Daniel Sheppard et al. · The Journal of Chemical Physics · 2012 · 110 citations

Engineering, Machine Learning, Computational Chemistry +21

Alchemical derivatives of reaction energetics

Daniel Sheppard, Graeme Henkelman, O. Anatole von Lilienfeld · The Journal of Chemical Physics · 2010 · 72 citations

Chemical Kinetics, Engineering, Computational Chemistry +17

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