Edward Sanville

Los Alamos National Laboratory — United States

Physics and Astronomy · Physical Sciences

12h-index11.9kcitations22works0.32yr avg
OpenAlex↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Advanced Chemical Physics Studies(11), Electronic and Structural Properties of Oxides(4), Graphene research and applications(3), High-pressure geophysics and materials(3), Fullerene Chemistry and Applications(3)

Publications22 total

Quantum molecular dynamics using LATTE
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2024Open Access
Quantum-based molecular dynamics simulations of shock-induced reactions with time-resolved Raman spectra
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2024Open Access
Self-consistent tight-binding molecular dynamics simulations of shock-induced reactions in hydrocarbons
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2024Open Access
Extended Lagrangian quantum molecular dynamics simulations of shock-induced chemistry in hydrocarbons
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2024· 1 citedOpen Access
Computing the Density Matrix in Electronic Structure Theory on Graphics Processing Units
Journal of Chemical Theory and Computation·2012· 26 cited
Self-consistent tight-binding molecular dynamics simulations of shock-induced reactions in hydrocarbons
AIP conference proceedings·2012· 3 citedOpen Access
Growth mechanisms for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="bold">TiO</mml:mi><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>at its rutile (110) surface
Physical Review B·2011· 37 citedOpen Access
Surface and interstitial Ti diffusion at the rutile TiO2(110) surface
Physical Chemistry Chemical Physics·2010· 38 cited
Los Alamos Transferable Tight-binding for Energetics (LATTE), Version 1.0
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2010Open Access
Surface and interstitial transition barriers in rutile (110) surface growth
Physical Review B·2009· 17 citedOpen Access
Structural calculations and experimental detection of small Ga S clusters using time-of-flight mass spectrometry
Chemical Physics Letters·2009· 12 cited
A grid-based Bader analysis algorithm without lattice bias
Journal of Physics Condensed Matter·2009· 7.3k cited
Adsorption of N@C60 on Si(100)
Surface Science·2008· 5 citedOpen Access
Silicon potentials investigated using density functional theory fitted neural networks
Journal of Physics Condensed Matter·2008· 43 citedOpen Access
Adsorption of C82 on Si(100)
Surface Science·2008· 6 citedOpen Access
<i>Ab initio</i>study of point defects in magnesium oxide
Physical Review B·2007· 44 citedOpen Access
Electronic and geometric structure calculations of adsorption of small<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi mathvariant="normal">Zn</mml:mi><mml:mi mathvariant="normal">O</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mi>i</mml:mi></mml:msub></mml:math>clusters<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mo>(</mml:mo><mml:mi>i</mml:mi><mml:mo>=</mml:mo><mml:mn>1</mml:mn><mml:mo>–</mml:mo><mml:mn>4</mml:mn><mml:mo>)</mml:mo></mml:mrow></mml:math>on graphite
Physical Review B·2007· 6 cited
Improved grid‐based algorithm for Bader charge allocation
Journal of Computational Chemistry·2007· 4.1k citedOpen Access
Adsorption of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi mathvariant="normal">Zn</mml:mi><mml:mi mathvariant="normal">S</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mi>i</mml:mi></mml:msub></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mo>(</mml:mo><mml:mi>i</mml:mi><mml:mo>=</mml:mo><mml:mn>1</mml:mn><mml:mo>–</mml:mo><mml:mn>4</mml:mn><mml:mo>)</mml:mo></mml:mrow></mml:math>clusters on graphite surfaces
Physical Review B·2006· 2 cited
Experimental and Computational Study of Small (<i>n</i> = 1−16) Stoichiometric Zinc and Cadmium Chalcogenide Clusters
The Journal of Physical Chemistry A·2006· 111 cited
page 1 of 2Next →

Frequent Co-authors

S.D. Kenny(7), M. J. Cawkwell(6), Anders M. N. Niklasson(6), Roger Smith(5), Joseph J. BelBruno(5), Andrei Burnin(3), Graeme Henkelman(2), Paul A. Mulheran(2), C. S. Browne(2), Louis James Vernon(2), Susan M. Mniszewski(2), Nicolas Bock(2), Wenjie Tang(1), C.A. Gilbert(1), Ajeevsing Bholoa(1), Michael Nolan(1), Mark Basham(1), Roger A. Bennett(1), Joseph J. BelBruno(1), Y. Moghaddam(1)