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Energy-Conserving Microcanonical Simulations from a Discontinuous Total Potential Formulated in Terms of Adaptive, Multilevel QM Groups (2010)

Journal of Chemical Physics

Properties of a method for performing adaptive, multilevel QM simulations of complex chemical reactions in the gas-phase (2010)

Journal of Chemical Theory and Computation

Properties of a Method for Performing Adaptive, Multilevel QM Simulations of Complex Chemical Reaction in the Gas-Phase (2010)

Journal of Chemical Theory and Computation

Aging of the Binder in Plastic-Bonded Exploxive PBX 9501 and Free-Radical Oxidation (2008)

Trends in Polymer Degradaton and Performance, American Chemical Society Symposium Series

Aging of the Binder in Plastic-Bonded Explosive PBX 9501 and Free-Radical Oxidation (2008)

Trends in Polymer Degradation and Performance (American Chemical Society Symposium Series)

Degradation of a Poly(ester urethane) Elastomer. IV. The Absorption and Diffusion of Water in the Components of PBX 9501 (2007)

Journal of Applied Polymer Science

Molecular dynamics of complex gas-phase reactive systems by time-dependent groups (2005)

Journal of Physical Chemistry A

Global potential energy surfaces for the Al+(1S) + H2 system (2004)

Journal of Chemical Physics

Methodology for the Modeling of Chemical Reactions on Accurate Potential Energy Surfaces (2004)

American Chemical Society, Division of Fuel Chemistry

The Degradation of a Poly(ester urethane) Elastomer. III. Kinetic Modeling of Estane 5703 Hydrolysis (2003)

Journal of Polymer Science

Simulations of Complex Chemical Processes by Adaptive, Multilevel QM/MM Theory (2010)

Department of Chemistry, New Mexico State University

Multilevel QM/MM Simulations of Complex Chemical Reactions (2008)

Department of Chemistry, University of Alabama

Theoretical Structures and Electrical Analysis of 7-Coordinated and Octahedral Systems Using GAMESS (2007)

The 27th Annual Undergraduate Research Conference

Method for Performing Molecular Dynamic Studies of Systems with High Chemical Reactivity (2006)

Department of Chemistry, University of Mississippi

Aging of PBX 9501: Hydrolysis and Free-Radical Oxidation (2006)

Fall American Chemical Society National Meeting

Methodology for the Molecular Dynamic Studies of Complex Chemical Reactions on Ab Initio Potential Engery Surfaces (2006)

Fall American Chemical Society National Meeting

231st National Meeting of the American Chemical Society

Innovative Methodology for Performing Molecular Dynamic Studies of Systems with High Chemical Reactivity (2006)

Fall American Chemical Society National Meeting

Molecular Dynamic Studies of the Unusual Isotope Effect in the Reaction of A1+ with Isotopic Hydrogen (2005)

Joint Southwest/Southeast Regional Meeting of the American Chemical Society

Toward Molecular Dynamic Simulations of Complex Gas-Phase Reactive Systems on Ab Initio PESs (2005)

Jack Simon's Symposium

A Completely General Methods for Utilizing Highly Accurate Ab Initio Potentials in Dynamical Calculations (2004)

National Meeting of the American Chemical Society

Methodology for the Modeling of Chemical Reactions on Accurate Potential Energy Surfaces (2004)

National Meeting of the American Chemical Society

Probing the Interactions of Ion-Molecule Bimolecular Reactions (2004)

227th National Meeting of the American Chemical Society

Provisional Patent (with Michael Johnson, Wendell Duncan, and Jerome Soller (2010)

Methods for performing molecular dynamic simulations using ab initio quantum mechanical potentials

$65,000 Grant from the Petroleum Research Foundation (2008)

For the development of accelerated quantum molecular dynamics for complex gas-phase reactive systems

$100,000 Grant from the National Science Foundation (2004)

For innovative methodology for accelerated quantum molecular dynamics (contributor)