Eric Schwegler

发表

Order parameter aided phase space exploration under extreme conditions

Amit Samanta, S. Hamel, Eric Schwegler, 2016 .

Structural and Chemical Properties of III-V Semiconductor-Water Interfaces for Photoelectrochemical Hydrogen Production

Eric Schwegler, Woon Ih Choi, Brandon C. Wood, 2013 .

S&TR Preview: Reducing Reliance on Critical Materials

Eric Schwegler, Maren Hunsberger, 2016 .

A Strategic Initiative in Applied Biological Simulations 01-SI-012 Final Report for FY01 - FY03

Felice C. Lightstone, Francois Gygi, Giulia Galli, 2004 .

Application of explicitly correlated Gaussian functions for calculations of the ground state of the beryllium atom

Eric Schwegler, Ludwik Adamowicz, Pawel M. Kozlowski, 1993, J. Comput. Chem..

High-Performance First-Principles Molecular Dynamics for Predictive Theory and Modeling

Francois Gygi, Giulia Galli, Eric Schwegler, 2017 .

Invited) Crosscutting Research in the Critical Materials Institute

Eric Schwegler, 2017 .

Ab initio modeling of water-semiconductor interfaces for direct solar-to-chemical energy conversion

Eric Schwegler, Brandon C. Wood, Tadashi Ogitsu, 2010, Optics + Photonics for Sustainable Energy.

Linear scaling computation of the Fock matrix. II. Rigorous bounds on exchange integrals and incremental Fock build

Eric Schwegler, Martin Head-Gordon, Matt Challacombe, 1997 .

Structure of hydrophobic hydration of benzene and hexafluorobenzene from first principles.

Giulia Galli, Eric Schwegler, Markus Allesch, 2007, The journal of physical chemistry. B.

Interfacial effects on the band edges of functionalized si surfaces in liquid water.

Donghwa Lee, Giulia Galli, Eric Schwegler, 2014, Journal of the American Chemical Society.

Modern Developments in Hartree-Fock Theory: Fast Methods for Computing the Coulomb Matrix

Eric Schwegler, Matt Challacombe, Jan Almlöf, 1996 .

β-Rhombohedral boron: at the crossroads of the chemistry of boron and the physics of frustration.

Giulia Galli, Eric Schwegler, Tadashi Ogitsu, 2013, Chemical reviews.

Ballistic electron transport in non-equilibrium warm dense gold

Alfredo A. Correa, Eric Schwegler, Tadashi Ogitsu, 2012 .

Linear scaling computation of the Fock matrix. IV. Multipole accelerated formation of the exchange matrix

Eric Schwegler, Matt Challacombe, M. Challacombe, 1999 .

MASS–RADIUS RELATIONSHIPS FOR EXOPLANETS

Graeme Ackland, Eric Schwegler, Jon Eggert, 2010, 1001.4851.

Linear scaling computation of the Hartree–Fock exchange matrix

Eric Schwegler, Matt Challacombe, M. Challacombe, 1996 .

Linear scaling computation of the Fock matrix

Eric Schwegler, Matt Challacombe, M. Challacombe, 1997 .

Towards an assessment of the accuracy of density functional theory for first principles simulations of water.

Erik W Draeger, Giulia Galli, Eric Schwegler, 2004, The Journal of chemical physics.

Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II.

Francois Gygi, Giulia Galli, Eric Schwegler, 2004, The Journal of chemical physics.

A first principles simulation of rigid water.

Giulia Galli, Eric Schwegler, François Gygi, 2004, The Journal of chemical physics.

Optically activated functionalization reactions in Si quantum dots.

Giulia Galli, Eric Schwegler, Fernando A Reboredo, 2003, Journal of the American Chemical Society.

Fast assembly of the Coulomb matrix: A quantum chemical tree code

Eric Schwegler, Matt Challacombe, Jan Almlöf, 1996 .

Melting of lithium hydride under pressure.

Giulia Galli, Eric Schwegler, François Gygi, 2003, Physical review letters.

Water confined in nanotubes and between graphene sheets: a first principle study.

Francois Gygi, Giulia Galli, Eric Schwegler, 2008, Journal of the American Chemical Society.

Linear scaling computation of the Fock matrix. III. Formation of the exchange matrix with permutational symmetry

Eric Schwegler, Matt Challacombe, M. Challacombe, 2000 .