Recent Presentations by N. A. W. Holzwarth and collaborators

• Talk presented by N. A. W. Holzwarth for WFU's Center for Energy, Environment, and Sustainability -- Renewable Energy Research (CEES-RER) Sept. 30, 2011 -- Solid electrolytes for battery applications -- a theoretical perspective
• Contributed talk presented by N. A. W. Holzwarth at the 219th ECS Meeting, in Montreal, Canada, May 1-6, 2011 -- "Computer Modeling of crystalline electrolytes -- Lithium Thiophosphates and Phophosphates"
• Invited talk presented by N. A. W. Holzwarth at the 5th International Abinit Developer Workshop in Han-sur-Lesse, Belgium April 11-15, 2011 -- The ATOMPAW Generator
• Contributed talk presented by N. Lepley at the APS March 2011 meeting in Dallas, Texas March 21-25, 2011 -- Computer Modeling of crystalline electrolytes: Lithium thiophosphates and phosphates
• Contributed talk present by X. Xu at the APS March 2011 meeting in Dallas, Texas March 21-25, 2011 -- A Projector Augmented Wave Formulation of the Hartree-Fock and KLI Approximations
• Poster presented by N. A. W. Holzwarth and N. Lepley at The 15th International Meeting on Lithium Batteries in Montreal, Canada June 27 - July 2, 2010 -- Computer Modeling of Lithium Phosphate and Thiophosphate Electrolyte Materials
• Poster presented by Xiao Xu at 22nd Annual Workshop on Electronic Structure Methods at the University of Texas - Austin, June 7-10, 2010 -- Projector augmented wave (PAW) formulation of Hartree-Fock calculations of electronic structure -- HF-PAW
• Poster presented by N. A. W. Holzwarth at 22nd Annual Workshop on Electronic Structure Methods at the University of Texas - Austin, June 7-10, 2010 -- Two implementations of the Projector Augmented Wave (PAW) formalism
• Talk presented by N. A. W. Holzwarth at 2010 APS March Meeting in Portland, OR March 2010 -- "Prediction of a New Material -- Lithium Phosphorus Oxynitride Li₂PO₂N"
• Talk presented by N. A. W. Holzwarth at 216^th Biannual Meeting of the Electrochemical Society Meeting October 4-9, 2009 in Vienna, Austria -- First principles simulations of Li ion migration in materials related to LiPON electrolytes
• Talk presented by N. A. W. Holzwarth at 7th Canadian Computational Chemistry Conference July 20-24, 2009 , Dalhousie University in Halifax, Nova Scotia -- A Projector Augmented Wave Formulation of the Optimized Effective Potential Formalism
• Poster presented by N. A. W. Holzwarth at 21th Annual Workshop on Recent Developments in Electronic Structure Methods at the University of California Davis campus, June 22-25, 2009 -- Simulations of Li-ion migration in LiPON electrolytes
• Talk presented by Yaojun Du at 2009 APS March Meeting in Pittsburgh, PA, March 2009 -- First-principles simulations of extended structures in the lithium phosphorous oxynitride electrolytes
• Talk presented by Xiao Xu at 2009 APS March Meeting in Pittsburgh, PA, March 2009 -- Implementation of the Optimized Effective Potential Method within the Projector Augmented Wave Scheme
• Poster presented by Xiao Xu at 20th Annual Workshop on Recent Developments in Electronic Structure Methods in the University of Illinois at Urbana-Champaign, June 17-20, 2008 -- "Projector Augmented Wave Formulation of Optimized Effect Potential Density Functional Theory -- PAW-OEP"
• Talk presented by Yaojun Du at 213th Biannual Meeting of the Electrochemical Society in Phoenix, AZ May 18-22, 2008 -- "Li ion migration in Li₃PO₄ electrolytes: Effects of O vacancies and N substitutions"
• Talk presented by N. A. W. Holzwarth at "Workshop on Pseudopotentials and the Quantum Theory of Materials" in Austin, TX Apr. 9-11 2008 in honor of J. R. Chelikowsky -- Simulations of Li ion diffusion in the electrolyte material -- Li₃PO₄
• Talk presented by N. A. W. Holzwarth at 2008 APS March Meeting in New Orleans, LA, March 2008 -- Simulation of Li ion diffusion near electrolyte-metal interface -- Li₃PO₄ and Li
• Poster presented by William Hodge at 2008 APS March Meeting in New Orleans, LA, March 2008 -- The One-Hole, One-Dimensional Hubbard Model at U = ∞
• Talk presented by N. A. W. Holzwarth at 74th Annual Meeting of the Southeastern Section of the APS in Nashville, November 2007 -- Simulations of Li ion diffusion in the electrolyte Li₃PO₄
• Poster presented by Xiao Xu at 19th Annual Workshop on Recent Developments in Electronic Structure Methods in Raleigh, NC June 2007 -- Projector Augmented Wave Formulation of Exact Exchange Density Functional Theory -- PAW-EXX
• Poster presented by Yaojun Du at 19th Annual Workshop on Recent Developments in Electronic Structure Methods in Raleigh, NC June 2007 -- Li ion diffusion mechanisms in Li₃PO₄ electrolytes
• Talk presented by Xiao Xu at March 2007 APS meeting in Denver -- Simulated electrolyte-metal interfaces -- Li₃PO₄ and Li
• Talk presented by Dr. Yaojun Du at March 2007 APS meeting in Denver -- Li-ion diffusion mechanisms in crystalline Li₃PO₄ electrolytes
• Poster presented by William Hodge at March 2007 APS meeting in Denver -- Pair State Analysis of the Hubbard Hamiltonian in One-Dimension
• CEACAM workshop -- Lyon, France -- June 12-14, 2006: State of the art, developments and perspectives of electronic structure calculations in the frame of the Projector Augmented-Wave (PAW) method