Daniel Sheppard
Daniel Sheppard
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Cited by
Cited by
Optimization methods for finding minimum energy paths
D Sheppard, R Terrell, G Henkelman
The Journal of chemical physics 128, 134106, 2008
A generalized solid-state nudged elastic band method
D Sheppard, P Xiao, W Chemelewski, DD Johnson, G Henkelman
The Journal of chemical physics 136 (7), 2012
Calculations of Li-ion diffusion in olivine phosphates
GKP Dathar, D Sheppard, KJ Stevenson, G Henkelman
Chemistry of Materials 23 (17), 4032-4037, 2011
Paths to which the nudged elastic band converges
D Sheppard, G Henkelman
Journal of computational chemistry 32 (8), 1769-1771, 2011
Intrinsic Diffusion of Hydrogen on Rutile TiO2(110)
SC Li, Z Zhang, D Sheppard, BD Kay, JM White, Y Du, I Lyubinetsky, ...
Journal of the American Chemical Society 130 (28), 9080-9088, 2008
Solid-state dimer method for calculating solid-solid phase transitions
P Xiao, D Sheppard, J Rogal, G Henkelman
The Journal of chemical physics 140 (17), 2014
Optimizing transition states via kernel-based machine learning
ZD Pozun, K Hansen, D Sheppard, M Rupp, KR Müller, G Henkelman
The Journal of chemical physics 136 (17), 2012
Alchemical derivatives of reaction energetics
D Sheppard, G Henkelman, OA von Lilienfeld
The Journal of chemical physics 133 (8), 2010
Carbon dioxide as a solubility “switch” for the reversible dissolution of highly fluorinated complexes and reagents in organic solvents: Application to crystallization
PG Jessop, MM Olmstead, CD Ablan, M Grabenauer, D Sheppard, ...
Inorganic chemistry 41 (13), 3463-3468, 2002
Kinetic and thermodynamic evaluation of the reversible N-heterocyclic carbene− isothiocyanate coupling reaction: applications in latent catalysis
BC Norris, DG Sheppard, G Henkelman, CW Bielawski
The Journal of Organic Chemistry 76 (1), 301-304, 2011
Ejecta transport, breakup and conversion
WT Buttler, SK Lamoreaux, RK Schulze, JD Schwarzkopf, JC Cooley, ...
Journal of Dynamic Behavior of Materials 3, 334-345, 2017
Combining Kohn-Sham and orbital-free density-functional theory for Hugoniot calculations to extreme pressures
D Sheppard, JD Kress, S Crockett, LA Collins, MP Desjarlais
Physical Review E 90 (6), 063314, 2014
Temperature measurements of shocked silica aerogel foam
K Falk, CA McCoy, CL Fryer, CW Greeff, AL Hungerford, DS Montgomery, ...
Physical Review E 90 (3), 033107, 2014
Z methodology for phase diagram studies: platinum and tantalum as examples
L Burakovsky, SP Chen, DL Preston, DG Sheppard
Journal of Physics: Conference Series 500 (16), 162001, 2014
Solubility of several analogues of triphenylphosphine in carbon dioxide
CD Ablan, D Sheppard, EJ Beckman, MM Olmstead, PG Jessop
Green Chemistry 7 (8), 590-594, 2005
Multiphase tin equation of state using density functional theory
DA Rehn, CW Greeff, L Burakovsky, DG Sheppard, SD Crockett
Physical Review B 103 (18), 184102, 2021
Understanding the transport and break up of reactive ejecta
WT Buttler, RK Schulze, JJ Charonko, JC Cooley, JE Hammerberg, ...
Physica D: Nonlinear Phenomena 415, 132787, 2021
Extended Lagrangian excited state molecular dynamics
JA Bjorgaard, D Sheppard, S Tretiak, AMN Niklasson
Journal of Chemical Theory and Computation 14 (2), 799-806, 2018
Dynamical and transport properties of liquid gallium at high pressures
D Sheppard, S Mazevet, FJ Cherne, RC Albers, K Kadau, TC Germann, ...
Physical Review E 91 (6), 063101, 2015
Studies of reactive and nonreactive metals–ejecta–transporting nonreactive and reactive gases and vacuum
WT Buttler, JC Cooley, JE Hammerberg, RK Schulze, JD Schwarzkopf, ...
AIP Conference Proceedings 2272 (1), 2020
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