Eric J Bylaska

In silico environmental chemical science: properties and processes from statistical and computational modelling.

Eric J Weber, Paul G Tratnyek, Eric J Bylaska, 2017, Environmental science. Processes & impacts.

Gaussian Basis Set and Planewave Relativistic Spin-Orbit Methods in NWChem.

Niranjan Govind, Eric J Bylaska, Patrick Nichols, 2009, Journal of chemical theory and computation.

Coordination and hydrolysis of plutonium ions in aqueous solution using Car-Parrinello molecular dynamics free energy simulations.

Wibe A de Jong, Eric J Bylaska, E. Bylaska, 2013, The journal of physical chemistry. A.

Combined quantum mechanical and molecular mechanics studies of the electron-transfer reactions involving carbon tetrachloride in solution.

Marat Valiev, Michel Dupuis, Paul G Tratnyek, 2008, The journal of physical chemistry. A.

Equatorial and apical solvent shells of the UO2 2+ ion.

Eric J Bylaska, Patrick Nichols, E. Bylaska, 2008, The Journal of chemical physics.

Adaptive Finite Element Method for Solving the Exact Kohn-Sham Equation of Density Functional Theory.

Michael Holst, Eric J Bylaska, M. Holst, 2009, Journal of chemical theory and computation.