Overview

International, National & Regional Presentations

The First Decade

View the list of Presentations between:

2009 - 2001

2016

  1. Invited talk presented by N. A. W. Holzwarth at the International Material Research Congress, August 15-19, 2016 Cancun, Mexico. "Simulations of Idealized Solid Electrolytes"

  2. Poster presented by N. A. W. Holzwarth at the 18th International Meeting on Lithium Batteries, June 19-24, 2016 in Chicago, IL. Li4SnS4: Simulations of Its Structure and Electrolyte Properties

  3. Talk presented by Larry Rush, Jr. at the March 2016 Meeting of the American Physical Society, March 14-18, 2016 in Baltimore, MD. First principles investigation of the structural and electrochemical properties of Na4P2S6 and Li4P2S6

  4. Talk presented by Jason Howard at the March 2016 Meeting of the American Physical Society, March 14-18, 2016 in Baltimore, MD. Computational study of Li2+xSnO3 and Li2+xSnS3

  5. Talk presented by Ahmad Al-Qawasmeh at the March 2016 Meeting of the American Physical Society, March 14-18, 2016 in Baltimore, MD. Computational study of Li ion electrolytes composed of Li3AsS4 alloyed with Li4GeS4

  6. Talk presented by N. A. W. Holzwarth (based on work of Nicholas Lepley) at the March 2016 Meeting of the American Physical Society, March 14-18, 2016 in Baltimore, MD. A formalism for modeling solid electrolyte/electrode interfaces using first principles methods

2015

  1. Talk presented by Jason Howard at the 228th ECS Meeting , October 11-15, 2015 in Phoenix, AZ. Computational Study of Li2SnO3 and Li2SnS3".

  2. Talk presented by N. A. W. Holzwarth at the 228th ECS Meeting , October 11-15, 2015 in Phoenix, AZ. Electrolyte properties of Li4P2S6 -- Simulations and comparison with experiment; Constrast with simulations of Na analog", in collaboration with Z. D. Hood, M. J. Kirkham, and L. E. Rush, Jr..

  3. Talk presented by N. A. W. Holzwarth at Sandia National Laboratory in Albuquerque, NM at the invitation of Kevin Leung -- June 3, 2015 "Simulations of Idealized Solid Electrolytes for Solid State Battery Designs"

  4. Undergraduate honors thesis by Hannah Zhang, in partial fulfillment of the Wake Forest University requirements for graduation with Honors in Physics (May 2015) -- "Computational Modeling of Li Diffusion Using Molecular Dynamics" .

  5. Contributed talk presented by Nicholas Lepley at the March Meeting 2015 of the American Physical Society March 2-6, 2015 in San Antonio, Texas. Modeling Electrolyte-Electrode interfaces with co-author N. A. W. Holzwarth

  6. Contributed talk presented by N. A. W. Holzwarth at the March Meeting 2015 of the American Physical Society March 2-6, 2015 in San Antonio, Texas. Structure and interface properties of the electrolyte material Li4P2S6 with co-authors Zachary D. Hood (Oak Ridge National Laboratory) and Cameron M. Kates (currently at Duke U.).

  7. Talk presented by N. A. W. Holzwarth at the Joint School of Nanoscience and Nanoengineering in Greensboro at the invitation of professor Sung-Jin Cho -- January 16, 2015 "Overview of Computer Simulation Methods Used to Study and Design New Materials: Examples from the Study of Solid Electrolytes"

2014

  1. Talk: “The Zinc Finger NEMO: A Molecular Dynamics Study”- Godwin, R., Gmeiner, W., Salsbury, F., Molecular Biophysics Symposium - Virginia Tech, Blacksburg, VA, November 2014

  2. Contributed poster presented by Nicholas Lepley at 2014 summer school on Transformational Technologies in Molecular Simulations held at University of Wisconsin-Madison, Madison, WI May 19-22, 2014 -- Modeling the Interface of Lithium Metal and Lithium Solid Electrolytes with First Principles calculations.

  3. Contributed poster presented by Chaochao Dun at The 26th Annual Workshop on Recent Developments in Electronic Structure Methods held at the University of North Texas, May 18-21, 2014 -- First principles simulations of Cu2ZnSnSxO4-x alloys.

  4. Undergraduate honors thesis by James Drewery, in partial fulfillment of the Wake Forest University requirements for graduation with Honors in Physics (May 2014) -- Modeling Materials: Comparison of Two Projector-Augmented Wave (PAW) Datasets.

  5. Undergraduate honors thesis by Cameron Kates, in partial fulfillment of the Wake Forest University requirements for graduation with Honors in Physics (May 2014) `-- Computational Modeling of Surface Energy and Structural Behavior of Li4P2S6 Electrolytic Solid Interfacing with Lithium Anodes.

  6. A.A. Tamijani, M. P. deLara-Castells and A. Salam, “Rutile TiO2(110) Surface Energy and Structural Parameters from First Principles”, Poster presented at the 14th Annual Graduate Student and Postdoc Research Day, Biotech Place, Winston-Salem, North Carolina, 28 March, 2014.
  7. Contributed talk presented by Chaochao Dun (in collaboration with N. A. W. Holzwarth, Y. Li, W. Huang, and D. Carroll) APS March Meeting 2014, Denver, Colorado Mar. 3 - 7, 2014 -- Cu2ZnSnSxO4-x and Cu2ZnSnSxSe4-x: First principles simulations of optimal alloy configurations and their energies

  8. Contributed talk presented by N. A. W. Holzwarth (with content from N. D. Lepley, A. Al-Qawasmeh, and C. Kates) at the APS March Meeting 2014, Denver, Colorado Mar. 3 - 7, 2014 -- First principles modeling of lithium (thio) phosphate solid electrolytes and lithium metal anodes

  9. Poster: “Conformational Analysis on Structural Perturbations of the Zinc Finger NEMO” - Godwin, R., Salsbury, F., Bulletin of the American Physical Society, Denver, CO, March 2014

  10. Invited talk by N. A. W. Holzwarth at the 27th Annual CSP Workshop February 24-28, 2014 in Athens, GA, USA -- First principles modeling of electrolyte materials in all-solid-state batteries"

  11. Presentation by N. A. W. Holzwarth at the CFCAM meeting "Pseudopotentials and PAW atomic data: beyond a ""black art""?" January 28-29, 2014 at the Ecole National Superieure de Chimie de Paris, Paris, France; organized by F. Jollet, J. J. Mortensen, and G. Rignanese. -- Introduction to generating PAW Atomic Datasets

2013

  1. Contributed talk presented by N. A. W. Holzwarth (with content from N. D. Lepley and A. Al-Qawasmeh) at the 224th ECS Meeting, in San Francisco, CA, Oct. 27-Nov. 1, 2013 -- First principles modeling of electrolyte/anode interfaces in an all-solid state battery -- γ-Li3PS4/Li

  2. S. W. Paine and A. Salam, “A Computational Study of Tautomerism and Aromaticity in Tropolone and its Sulphur Substituted Analogues”, Poster presented at the 25th Annual Workshop on Recent Developments in Electronic Structure Theory, College of William & Mary, Williamsburg, Virginia, 11-14 June, 2013.

  3. Contributed poster presented by N. A. W. Holzwarth (with content from N. D. Lepley) at the The 25th Annual Workshop on Recent Developments in Electronic Structure Methods held at the College of William and Mary, June 11-14, 2013 -- First principles modeling of the interface between a solid state lithium thiophosphate electrolyte and a lithium metal anode

  4. Invited talk presented by N. A. W. Holzwarth at the 6th International ABINIT Developer Workshop in Dinard, France April 15-18, 2013 -- Comments on Generating and Testing PAW Datasets

  5. Contributed talk presented by N. A. W. Holzwarth (in collaboration with K. Senevirathne, C. Day, A. Lachgar, and M. Gross) at the APS March Meeting 2013 in Baltimore, MD, Mar. 18 - Mar. 22, 2013 -- Design and synthesis of a crystalline LiPON electrolyte

  6. Contributed talk presented by Nicholas Lepley (in collaboration with N. A. W. Holzwarth) at the APS March Meeting 2013 in Baltimore, MD, Mar. 18 - Mar. 22, 2013 -- Surface Structure and Stability in Li3PS4 and Li3PO4 Electrolytes from First Principles

  7. Talk presented by N. A. W. Holzwarth at Oak Ridge National Laboratory at the invitation of Dr. Paul Kent -- March 11, 2013 "Design and Synthesis of a Crystalline LiPON Electrolyte"

2012

  1. Talk presented by N. A. W. Holzwarth at the Duquesne University at the invitation of Professor Jennifer Aitken, Department of Chemistry and Biochemistry -- October 19, 2012 "Solid electrolytes for battery applications -- a theoretical perspective"

  2. Poster presented by N. Lepley at the ES12: 24th Annual Meeting of the Electronic Structure Workshop -- June 5-8, 2012 -- Computer Modeling of Crystalline Electrolytes - Lithium Thiophosphates and Phosphates.

  3. Poster presented by N. Holzwarth at the ES12: 24th Annual Meeting of the Electronic Structure Workshop -- June 5-8, 2012 -- First Principles Computer Simulations of Li10GeP2S12 and Related Lithium Superionic Conductors.

  4. Talk presented by N. A. W. Holzwarth at the University of Louisville at the invitation of Professor Yongsheng Lian, Mechanical Engineering Department and the Conn Center for Renewable Energy Research -- April 6, 2012 -- "Solid electrolytes for battery applications -- a theoretical perspective"

  5. Contributed talk presented by N. A. W. Holzwarth at the APS March Meeting 2012 in Boston, MA, Feb. 27 - Mar. 2, 2012 -- First principles computer simulations of Li10GeP2S12 and related lithium superionic conductors

  6. Contributed talk presented by Nicholas Lepley at the APS March Meeting 2012 in Boston, MA, Feb. 27 - Mar. 2, 2012 -- First principles investigation of the superionic electrolyte Li7P3S11

  7. Contributed talk presented by Xiao Xu at the APS March Meeting 2012 in Boston, MA, Feb. 27 - Mar. 2, 2012 -- Projector Augmented Wave formulation of orbital-dependent exchange-correlation functionals

2011

  1. 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

  2. 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"

  3. 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

  4. 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

  5. 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

2010

  1. 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

  2. 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

  3. 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

  4. 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"

  5. W. Farrell, U. Bierbach and A. Salam, “Computational Studies on Tautomerism in Acridine”, Poster presented at the 50th Sanibel Symposium on Atomic, Molecular, Biophysical and Condensed Matter Theory, St. Simons Island, Georgia, 24 February – 2 March, 2010.

2009 - 2001