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The Journal of Chemical Physics|June 21, 2006
A combined explicit-implicit method for high accuracy reaction path integrationSteven K Burger, Weitao YangThe Journal of Chemical Physics|February 14, 2006
Quadratic string method for determining the minimum-energy path based on multiobjective optimizationSteven K Burger, Weitao YangThe Journal of Chemical Physics|November 6, 2007
Sequential quadratic programming method for determining the minimum energy pathSteven K Burger, Weitao YangThe Journal of Chemical Physics|January 4, 2007
Automatic integration of the reaction path using diagonally implicit Runge-Kutta methodsSteven K Burger, Weitao YangJournal of Physics. Condensed Matter : an Institute of Physics Journal|August 1, 2014
Linear-scaling quantum calculations using non-orthogonal localized molecular orbitalsSteven K Burger, Weitao YangThe Journal of Chemical Physics|January 22, 2008
Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surfaceHao Hu, Zhenyu Lu, Jerry M Parks, et al.The Journal of Chemical Physics|June 25, 2010
Methods for finding transition states on reduced potential energy surfacesSteven K Burger, Paul W AyersJournal of Computational Chemistry|July 6, 2013
Efficient optimization of van der Waals parameters from bulk propertiesSteven K Burger, G Andrés CisnerosProteins|May 11, 2011
A parameterized, continuum electrostatic model for predicting protein pKa valuesSteven K Burger, Paul W AyersJournal of Chemical Theory and Computation|December 1, 2015
Dual Grid Methods for Finding the Reaction Path on Reduced Potential Energy SurfacesSteven K Burger, Paul W AyersPageof 36