“Hydrides and Hydrogen Pipe Diffusion in Palladium: First Principles, Kinetic Monte Carlo, and Neutron Scattering” , Annual Meeting of the Minerals, Metals & Materials Society, “Hume-Rothery” symposium , Nashville, TN , February 14-18, 2016
“Database optimization for empirical interatomic potentials” , Annual Meeting of the Minerals, Metals & Materials Society, “Computational Methods for Uncertainty Quantification, Model Validation, and Stochastic Predictions” symposium , Nashville, TN , February 14-18, 2016
“Automating Computation of Solute Diffusion” , Materials Science and Technology Meeting, “Data and Tools for Materials Discovery and Design” symposium , Columbus, OH , October 4-8, 2015
“First-principles computation of a stepped surface: TiO2” , Materials Science and Technology Meeting, “Deformation and Transitions at Grain Boundaries IV” symposium. , Columbus, OH , October 4-8, 2015
“Hydrides and Hydrogen Pipe Diffusion in Palladium: First Principles, Kinetic Monte Carlo, and Neutron Scattering” , Service de Recherches de Metallurgie Physique seminar, CEA/Saclay , CEA/Saclay, France , September 14, 2015
“Automating diffusivity calculations for interstitial and solute diffusion from first-principles” , 2015 Psi-k Conference , San Sebastian / Donostia, Spain , September 7-10, 2015
“Multiscale evolution of defects near a dislocation: Solutes and vacancies in nickel.” , “Defects in Materials,” Lake Arrowhead reunion program. Institute for Pure and Applied Mathematics, UCLA. , Los Angeles, CA , June 8, 2015
“Light interstitial diffusion in magnesium.” , NIST Diffusion workshop , Gaithersburg, MD , May 14-15, 2015
“Evolution of defects near a dislocation: Solutes and vacancies in nickel.” , Annual Meeting of the Minerals, Metals & Materials Society, “Computational Thermodynamics and Kinetics” symposium , Orlando, FL , March 15-19, 2015
“Forming nanoprecipitates at dislocations: Hydrides in Pd and Silicides in Ni.” , Max-Planck-Institut für Eisenforschung , Düsseldorf, Germany , November 5, 2014
“Stress and irradiation effects on solute diffusion to dislocations” , Multiscale Modeling of Materials Meeting. , Berkeley, CA , October 6, 2014
“Lattice Green function calculations in the presence of a dislocation” , “Multiscale Models of Crystal Defects” program, Banff International Research Station for Mathematical Innovation and Discovery , Banff, Canada , September 21, 2014
“Hydrogen Pipe Diffusion in Palladium: First Principles, Kinetic Monte Carlo, and Experi ments” , 14th International Symposium on Metal-Hydrogen Systems, Univ. Salford , Manchester, UK , July 25, 2014
“Lattice Green function calculations in the presence of a dislocation” , “Defects in Materials,” Lake Arrowhead reunion program; Institute for Pure and Applied Mathematics, UCLA , Los Angeles, CA , June 9, 2014
“Metal solute-oxygen interaction in titanium for changes in oxygen diffusivity” , NIST Diffusion workshop , Gaithersburg, MD , April 28–29, 2014
“Forming nanoprecipitates at dislocations: Hydrides in Pd and Silicides in Ni.” , Spring Meeting of the Materials Research Society , San Francisco, CA , Apr. 21-25, 2014
“Stress and Irradiation Effects on Solute Diffusion to Dislocations.” , Annual Meeting of the American Chemical Society, “Radiation Hardened Materials for Ac- celerators, Reactors and Spacecraft” symposium , Dallas, TX , Mar. 16-20, 2014
“Deformation of Magnesium from First Principles.” , 2nd ESISM Workshop in Kyoto, “Fundamental Issues of Structural Materials” , Kyoto, Japan , Mar. 11-12, 2014
“Density-functional theory methods for interfaces: Lattice Greens Function and Energy Density Methods.” , Annual Meeting of the Minerals, Metals & Materials Society, “Mechanical Behavior Related to Interface Physics II” symposium , San Diego, CA , Feb. 16-20, 2014
“Interfaces in HCP Ti: twinning, transformation, oxygen.” , Materials Science and Technology Meeting, “Deformation and Transitions at Grain Boundaries III” symposium , Montreal, Canada , Oct. 28-31, 2013
“Dislocations with first principles: From defects to material behavior in magnesium.” , Computational Science and Engineering, Fall Seminar , Univ. Illinois, Urbana-Champaign, IL , October 23, 2013
“First principles modeling of titanium: oxygen, dislocations, and boundaries.” , Keynote lecture; Pacific Rim International Congress on Advanced Materials and Processing (PRICM-8), Light Metals and Alloys symposium , Waikoloa, Hawaii , August 4-9, 2013
“Energy Density Method and Bader Integration for Defect Energies.” , International Symposium on Atomistic Modeling for Mechanics and Multiphysics of Materials (ISAM4 2013) , Tokyo, Japan , July 22, 2013
“Deformation in magnesium from first-principles.” , Max-Planck-Institut für Eisenforschung , Düsseldorf, Germany , July 10, 2013
“Beyond binaries: solid solution strengthening and softening in magnesium.” Magnesium Workshop Madrid 2013, Madrid, Spain, May 21-24, 2013.
“Stress-induced anisotropic diffusion in alloys: Complex Si solute flow near a dislocation core in Ni.” NIST Diffusion workshop, Gaithersburg, MD, May 9-10, 2013.
“Predicting strength and cross-slip of magnesium alloys: First-principles, solute distribution, and deformation.” Annual Meeting of the Minerals, Metals & Materials Society, “Modeling and Experimental Validation of Multiscale Mechanical Behavior from Atomic Scale to Macro Scale” symposium. San Antonio, TX, Mar. 4-Mar. 7, 2013.
“Solute diffusion to dislocations under irradiation: Si in Ni.” Materials Science and Technology Meeting, “Materials Development for Nuclear Applications and Extreme Environments” symposium. Pittsburgh, PA, Oct. 7–11, 2012.
“From dislocation/solute interactions and solute distribution to deformation in magnesium.” 9th International Conference on Magnesium Alloys and their Applications. Vancouver, BC, Canada, July 8–12, 2012.
“Deformation in magnesium from first-principles.” NIST Metallurgy Colloquium, July 6, 2012.
“Deformation in magnesium from first-principles.” Materials Science and Engineering Colloquium, Los Alamos National Laboratory, June 19, 2012.
“The Challenge of Multicomponent Systems: Atomistics, Thermodynamics and Kinetics.” NSF Workshop on Emerging Research Areas in the Science of Metals and Metallic Nanostructures. Univ. California, Santa Barbara, June 13–14, 2012.
“Atomic-scale modeling and data.” NIST “Materials Genome Initiative Workshop on Building the Materials Innovation Infrastructure: Data and Standards.” U.S. Department of Commerce, Washington, D.C., May 14–15, 2012.
“Deformation in magnesium from first-principles.” Annual Meeting of the Minerals, Metals & Materials Society, “Phase Transformations and Deformation in Magnesium Alloys” symposium. Orlando, FL, Mar. 11–Mar. 15, 2012.
“First Principles Modeling of Dislocation/Twin Boundary Interactions in Titanium.” International Conference on Plasticity. Puerto Rico, Jan. 3–8, 2012.
“Deformation in magnesium from first-principles.” U.S. Army Research Laboratory speaker series on Integrated Computational Materials Engineering, Aberdeen Proving Ground, MD, Nov. 16, 2011.
“First-principles predictions of dislocation/solute interactions: Rare earths in magnesium.” MagNET Research Network Workshop, “Rare Earth Elements in Magnesium Alloys.” CANMET Facility, Hamilton, Ontario, Nov. 7–8, 2011.
“Interactions of dislocations and twin boundaries in titanium with first-principles.” Materials Science and Technology Meeting, “Deformation and Transitions at Grain Boundaries” symposium. Columbus, OH, Oct. 16–20, 2011.
“Dislocations with first principles: From defects to material behavior in magnesium.” Materials Science and Engineering Colloquium, Massachusetts Institute of Technology, Oct. 13, 2011.
“First principles modeling of dislocations for magnesium alloys.” Keynote lecture, “NSF Workshop on Magnesium Science and Technology.” Arlington, VA, May 19–20, 2011.
“Dislocations with first principles: From defects to material behavior.” Materials Science and Engineering Colloquium, Cornell University, April 21, 2011.
“Dislocations with first principles: From defects to material behavior.” Materials Science and Engineering Colloquium, Univ. Michigan, April 15, 2011.
“Formation of hydrogen Cottrell atmosphere in palladium: Theory and measurement from inelastic neutron scattering.” 2011 Annual Meeting of the Minerals, Metals & Materials Society, “Hydrogen Storage in Materials: Theory and Experiment” symposium. San Diego, CA, Feb. 27–Mar. 3, 2011.
“Predicting Mg strength from first-principles: Solid-solution strengthening, softening, and cross-slip.” Keynote lecture; 2011 Annual Meeting of the Minerals, Metals & Materials Society, “Magnesium Technology 2011” symposium. San Diego, CA, Feb. 27–Mar. 3, 2011.
“Dislocations with first principles: From defects to material behavior.” Lawrence Livermore National Laboratory, Feb. 25, 2011.
“Dislocations with first principles: From defects to material behavior.” Materials Science and Engineering Colloquium, Univ. California, Berkeley, Feb. 24, 2011.
“Dislocations from first principles: Connecting defects to macroscale behavior in real materials.” Physics and Theory Colloquium, Los Alamos National Laboratory, Dec. 9, 2010.
“Dislocations from first principles: Connecting defects to macroscale behavior in real materials.” Materials Science and Engineering Colloquium, California Institute of Technology, Dec. 8, 2010.
“Dislocations from first principles: Connecting defects to macroscale behavior in real materials.” Mechanical, Aerospace, and Nuclear Engineering Colloquium, Rensselaer Polytechnic Insti- tute, Nov. 10, 2010.
“Point, line, and planar defects and interactions using electronic structure methods.” 2009 CAMM meeting, “Possibilities and Limitations of Characterization and Modeling Solid/Solid Interfaces.” Bernkastel-Kues, Germany, May 17–20, 2009.
“Palladium-hydrogen interaction in dislocations: Trapping and diffusion.” TMS Annual Meeting, “Computational Thermodynamics and Kinetics” symposium. San Francisco, CA, Feb. 15–20, 2009; slides
“Interface mobility for Ti alpha to omega transformation.” TMS Annual Meeting, “Transformations Under Extreme Conditions” symposium. San Francisco, CA, Feb. 15–20, 2009; slides
“Chemical short-range ordering in liquid-phase Ni alloys.” TMS Annual Meeting, “Advanced Characterization and Modeling of Phase Transformations in Metals” symposium. San Francisco, CA, Feb. 15–20, 2009; slides
“Electronic structure in dislocation modeling: Dislocation/solute interactions in Mo, Al, and Mg.” Joint Materials/Solid Mechanics Seminar Series, Brown Univ., January 30, 2009; slides
“Dislocation/solute interactions via first-principles for modeling strength of materials: Mo, Al, Mg.” International Conference on Plasticity. St. Thomas, Jan. 3–8, 2009; slides
“First-principles calculation of dislocation/solute interaction: Solid-solution softening, dynamic strain-aging, and hydrogen trapping.” General Motors Research and Development, April 24, 2008; slides
“Electronic structure for dislocation/defect interactions” Japan Institute of Metals Annual Meeting, Tokyo, March 28, 2008; slides
“First-principles calculation of dislocation/solute interaction: Solid-solution softening, dynamic strain-aging, and hydrogen trapping” Materials Science and Engineering Seminar, Univ. Wisconsin, December 14, 2007; slides
“Chemistry of deformation: Solid-solution softening from first-principles to dislocation mobility” Service de Recherches de Metallurgie Physique seminar, CEA/Saclay, June 26, 2007:
slides
“Implementing flexible-boundary conditions and computing the lattice Green function.” Service de Recherches de Metallurgie Physique, Dislocation simulation workshop, CEA/Saclay, June 21, 2007.
“Density-functional theory, flexible-boundary conditions, and predicting dislocation-core structures.” Service de Recherches de Metallurgie Physique, Dislocation simulation workshop, CEA/Saclay, June 21, 2007.
“Material strength from first principles: Electronic structure and the solute/dislocation interaction” Electronic Structure Workshop, North Carolina State University, June 12–15, 2007:
slides
“Chemistry of deformation: From atomic bonding to dislocations to strength” Joint Metallurgical Engineering and Material Science & Engineering graduate seminar, University of Utah, March 28, 2007:
slides
“Chemistry of deformation: Solid-solution softening from first-principles to dislocation mobility” TMS Annual Meeting, Orlando, FL, Feb. 25–Mar. 1, 2007:
slides
“Martensitic alpha to omega in titanium: Atomic pathway and impurity effects” TMS Annual Meeting, Orlando, FL, Feb. 25–Mar. 1, 2007:
slides
“The simulation of material deformation” Physics in Careers seminar, Xavier University, October 20, 2006:
slides
“The chemistry of deformation.” Materials Science and Engineering seminar, Northwestern University, March 1, 2006.
“The chemistry of deformation.” Mechanical Engineering seminar, Johns Hopkins University, Feb. 7, 2006.
“The chemistry of deformation.” Materials Science and Engineering colloquium, Univ. Illinois, Urbana-Champaign, Jan. 23, 2006.
“Alpha to Omega in Titanium Alloys: Martensitic Phase Transitions at the Atomic Length Scale” MST Annual Meeting (Modeling and Simulation of Titanium Technology: Theory and Practices symposium), Pittsburgh, PA, September 26–28, 2005:
slides
“Martensitic Phase Transitions at the Atomic Length Scale: Titanium Alpha to Omega” APS March Meeting, Los Angeles, CA, March 21–25, 2005:
slides
“Atomistic Mechanisms of the Martensitic Titanium HCP to Omega Phase Transformation” Air Force Research Laboratory, Wright Patterson Air Force Base, August 20, 2003:
slides
“Atomistic Mechanisms of Martensitic Phase Transformations: Titanium HCP to Omega” Electronic Structure Workshop, University of Minnesota, May 17–19, 2003:
slides
“A Systematic Approach to Modeling Martensitic Phase Transformations: The Titanium Hcp to Omega Transition” Brigham Young University, October 18, 2001:
slides
“Total Energy and Elastic Properties of Titanium via Tight-Binding” University of Cincinnati, July 14, 1999.