Invited Presentations

  • “Proposal for a Performance and Scaling Benchmark Set for Electronic Structure Calculations”, ELectronic Structure Infrastructure (ELSI) Connector Meeting 2017; Durham, NC, August 2017 (slides, YouTube video)
  • “Benchmarking Relativistic Effects in Materials”, Electronic Structure Theory with Numeric Atom-Centered Basis Functions; Munich, Germany, July 2016 (slides)
  • “Benchmarking Relativistic Effects in Materials”, Frontiers of Multi-scale Modeling in Materials, Energy & Catalysis; Monte Isola, Italy, June 2016
  • “First Principles for Energy Materials”, 2016 Energy Research Collaboration Workshop; Durham, NC, May 2016

Conference and Workshop Presentations

  • “GPGPU-Accelerated Large-Scale Electronic Structure Theory with a First-Principles All-Electron Code”, 255th ACS National Meeting & Exposition; New Orleans, LA, March 2018 (poster)
  • “Unified Access to Kohn-Sham DFT Solvers for Different Scales and HPC: The ELSI Project”, APS March Meeting 2018; Los Angeles, CA, March 2018 (slides)
  •  “GPU-Accelerated Large-Scale Electronic Structure Theory on Titan with a First-Principles All-Electron Code”, APS March Meeting 2017; New Orleans, LA, March 2017
  • “Benchmarking Post-SCF Treatments of Spin-Orbit Coupling in Electronic Structure Theory”, APS March Meeting 2016; Baltimore, MD, March 2016
  • “The Marriage of Hybrid Functionals and Spin-Orbit Coupling: A Generalized Kohn-Sham Band Structure Benchmark for 3D Solids and 2D Materials”, 2015 Materials Research Society Fall Meeting and Exhibit; Boston, MA, November 2015
  • “Kohn-Sham Band Structure Benchmark Including Spin-Orbit Coupling for 2D and 3D Solids”, APS March Meeting 2015; San Antonio, TX, March 2015
  • “Phase Transitions from First Principles: Boron Carbide and the High-Entropy Alloy Mo-Nb-Ta-W”, doctoral defense; Carnegie Mellon University, Pittsburgh, PA, April 2014
  • “Prediction of A2 to B2 Phase Transition in the High Entropy Alloy Mo-Nb-Ta-W”, APS March Meeting 2014; Denver, CO, March 2014
  • “First Principles Prediction of a New Low Temperature Phase in Boron Carbide”, Density Functional Theory and Beyond: Computational Materials Science for Real Materials workshop; Trieste, Italy, August 2013
  • “First Principles Calculation of Elastic Properties of Early-Late Transition Metal Alloys”, APS March Meeting 2013; Baltimore, MD, March 2013
  • “First Principles Modeling of the Temperature Dependent Ternary Phase Diagram, Activities, and Sulfidization Thresholds for the Cu-Pd-S System”, Materials Science & Technology 2012 Conference and Exhibition; Pittsburgh, PA, October 2012
  • “First Principles Modeling of the Temperature Dependent Ternary Phase Diagram for the Cu-Pd-S System”, APS March Meeting 2012; Boston, MA, February 2012
  • “Hydrogen Binding Sites in Nickel-Based Amorphous Metals”, APS March Meeting 2011; Dallas, TX, March 2011