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Daniel Sheppard | Researchclopedia

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Daniel Sheppard

Los Alamos National Laboratory ORCID

63

Works

4,326

Citations

17

h-index

18

i10-index

Research Topics

High-pressure geophysics and materials Advanced Chemical Physics Studies Machine Learning in Materials Science

Affiliations

Georgia Institute of Technology2002–2002

Los Alamos National Laboratory2013–2025

Pacific Northwest National Laboratory2008–2008

Curtin University2016–2016

Environmental Molecular Sciences Laboratory2008–2008

Top Works

Optimization methods for finding minimum energy paths

Daniel Sheppard,Rye Terrell,et al.

20081,786 citations

Crystallization and Solubility Studies

X-ray Diffraction in Crystallography

A generalized solid-state nudged elastic band method

Daniel Sheppard,Penghao Xiao,et al.

20121,117 citations

Calculations of Li-Ion Diffusion in Olivine Phosphates

Gopi Krishna Phani Dathar,Daniel Sheppard,et al.

2011299 citations

Paths to which the nudged elastic band converges

Daniel Sheppard,Graeme Henkelman

2011242 citations

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

Penghao Xiao,Daniel Sheppard,et al.

2014170 citations

Intrinsic Diffusion of Hydrogen on Rutile TiO<sub>2</sub>(110)

Shao‐Chun Li,Zhenrong Zhang,et al.

2008130 citations

Optimizing transition states via kernel-based machine learning

Zachary D. Pozun,Katja Hansen,et al.

2012111 citations

Alchemical derivatives of reaction energetics

Daniel Sheppard,Graeme Henkelman,et al.

201072 citations

Z methodology for phase diagram studies: platinum and tantalum as examples

Leonid Burakovsky,S P Chen,et al.

201458 citations