“Density Functional Theory for Intrinsically Multi-Configurational Systems," invited lecture by D. G. Truhlar at the Division of Chemical Physics Symposium on Recent Advances in Density Functional Theory, American Physical Society March Meeting, Denver, CO, March 5, 2014.
"Modeling condensed‑phase effects on electronic structure and spectroscopy” Electronic Structure Principles and Applications 2014 (ESPA2014), Cramer, C. J., Badajoz, Spain, July 2, 2014.
“Multireference wave function-.‐‑based methods for magnetic systems” L.Gagliardi, Texas A&M University, College Station, TX, February 20, 2013.
"Adiabatic and Nonadiabatic Potential Energy Surfaces for Chemical Reaction Dynamics Calculations," D. G. Truhlar, 245th National American Chemical Society Meeting, New Orleans, April 7, 2013.
"Recent developments in wave function-.‐‑based methods for strongly correlatedsystems,ʺ L. Gagliardi, 245th National American Chemical Society Meeting, New Orleans, April 9, 2013. Abstract COMP-170.
"Universal Solvation Models: Theory and Application,ʺ A. V. Marenich, C. J. Cramer, and D. G. Truhlar, 245th National American Chemical Society
Meeting, New Orleans, April 9, 2013. Abstract COMP-171.
"Continuum Solvation Models for Computational Electrochemistry: Recent Advances," A. Marenich, C. J. Cramer, and D. G. Truhlar, invited talk by A. Marenich at the 223rd Electrochemical Society Meeting, Toronto, Ontario, Canada, May 16, 2013.
“Multireference wave function-based methods for magnetic systems” L. Gagliardi, Humboldt University, Berlin, Germany, May 27, 2013.
ʺModeling Condensed Phase Effects on Structure and Spectroscopyʺ, C.J. Cramer, Midwest Theoretical Chemistry Conference, Urbana, IL, May 31, 2013.
“Multireference wave function-based methods for magnetic systems” L. Gagliardi, University of Chicago, Chicago, IL, June 11, 2013.
"Photochemistry in Terms of Diabatic States,ʺ invited lecture by D. G. Truhlar at 2013 Dynamics of Molecular Collisions Conference, Lake Tahoe, CA, July 7-12, 2013.
“Charge transfer and charge transport in photoactivated systems: Challenges in modeling chromophore solvation, aggregation, and flexibility,''ʹ J. I. Siepmann, DOE SciDAC PI Meeting, Rockville, MD, July 26, 2013.
“Multireference wave function-based methods for magnetic systems” Como Moments, Como, Italy, August 24, 2013.
"Electronic Structure of Excited States in The Gas Phase and Solution,ʺ invited lecture by D. G. Truhlar at Symposium on Computational Photocatalysis, 247th National American Chemical Society Meeting, Indianapolis, Sept. 12, 2013.
“Charge transfer and charge transport in photoactivated Systems: Challenges in modeling chromophore solvation, aggregation, and flexibility,” J. Ilja Siepmann, Aerospace Computational Design Laboratory, Massachusetts Institute of Technology, Cambridge, MA, September 27, 2013.
ʺModeling Condensed Phase Effects on Structure and Spectroscopyʺ, C.J. Cramer, Southeast Regional ACS Meeting 2013, November 15, 2013.
"Performance Tuning of Fock Matrix and Two-Electron Integral Calculations for NWChem on Leading HPC platformsʺ, H. Shan, W. Jong, L. Oliker, N. Wright, B. Austin, International Workshop on Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS13), Denver CO, November 17, 2013
“Charge Model 5 for the Accurate Description of Molecular Interactions in the Gas Phase and Solution,” invited lecture at Symposium on Rational Drug Design, organized for the COMP Division by Rami Reddy, 243th National Meeting of the ACS, San Diego, March 25-29, 2012.
“Nonadiabatic Dynamics in Terms of Diabatic States,” invited lecture at Symposium on Nonadiabatic Dynamics: Surface Hopping and Beyond, organized for the PHYS Division by Xiaosong Li and Oleg Prezhdo, 243th National Meeting of the ACS, San Diego, March 25-29, 2012.
“New Density Functionals with Broad Applicability in Chemistry (SOGGA11, SOGGA11-X, M11, M11-L) and Approaches to Open-Shell DFT,” invited lecture at Symposium on Theory and Applications of Density Functional Theory, award symposium for the 2012 ACS Award in Computers in Chemical and Pharmaceutical Research, awarded to Prof. Weitao Yang, organized for the COMP Division by Paul Ayers, 243th National Meeting of the ACS, San Diego, March 25-29, 2012.
"New Density Functionals with Broad Applicability in Chemistry (SOGGA11, SOGGA11-X, M11, M11-L) and Approaches to Open-Shell DFT," invited talk at the Focus Session on Density Functional Theory: New Functionals and Applications, March Meeting of the American Physical Society, Boston, MA, Feb. 29, 2012.
“Sorting Out the Contributions of Electrostatic Polarization, Dispersion, and Hydrogen Bonding to Solvatochromic Shifts on Vertical Electronic Excitation Energies,” invited lecture, Symposium in Honor of Bruce Berne, National ACS Meeting, Boston, Aug. 24, 2012.