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Peter Knowles

Cardiff University

Coupled Cluster Theory and Full Configuration Interaction for electrons, photons and vibrations

Oleg Prezhdo

University of Southern California

Excited State Dynamics in Hybrid Nanoscale Materials: Time-Domain Ab Initio Studies

Notker Roesch

TU Muenchen, Germany

Catalysis in Silico - Where are We? Modeling Reactions at Transition Metal Complexes

Jorge A. Morales

Texas Tech University

ELECTRON NUCLEAR DYNAMICS INVESTIGATION OF WATER RADIOLYSIS AND DNA DAMAGE IN PROTON CANCER THERAPY

Peter Pulay

University of Arkansas

Selection of active orbitals for strong electron correlation

Jürgen Gauss

Department Chemie, Johannes Gutenberg-Universität Mainz

Many-Body Expanded Full Configuration Interaction

Nicholas Mayhall

Virginia Tech

Tensor product states for more compact electronic state descriptions

Nancy Makri

University of Illinois

Path Integral Disentanglement and Modular Decomposition for Simulating the Quantum Dynamics of Large Systems

Filipp Furche

University of California, Irvine

Pervasive Divergence of Many-Body Perturbation Theory for Dispersion Interactions

Toomas Tamm

Tallinn University of Technology

Formation and Binding Properties of Cyclohexanohemicucurbiturils

Alberto Vela

Instituto Politécnico Nacional

Locally Parameterized Exchange and Correlation Functionals. Can a non-empirical GGA describe accurately finite and extended systems?

Róbert Izsák

Max-Planck-Institut für Kohlenforschung

Domain-based Pair Natural Orbitals for Excited States Using the Similarity Transformed Equation of Motion Formalism

Jerzy Leszczynski

Jackson State University

Following Zerner’s Legacy: Combining Calculations and Experiment for Development of Efficient Solar Cells

Jianshu Cao

MIT

Stochastic Formalism and Simulation of Quantum Dissipative Dynamics

Salvador Barraza-Lopez

University of Arkansas

How good is DFT in determining structural properties of 2D ferroelectrics?

David Masiello

University of Washington

Advances in Single-Particle Spectroscopy Using Fast Electrons

Ryan Requist

Hebrew University of Jerusalem

Electronic-vibrational coupling in a self-contained density functional framework

Ya-Wen Hsiao

STFC Daresbury Laboratory

Quantum refinement: Working closely with experiment

Paul S Bagus

University of North Texas

Extracting Chemistry From X-Ray Photoemission Spectroscopy: Orbitals, Multiplets, and More

Fabian Faulstich

Hylleraas Centre for Quantum Molecular Sciences

Cost reduction of quantum simulations of chemistry by means of the Discontinuous Galerkin discretization

Andre Laestadius

Hylleraas Centre, Department of Chemistry, University of Oslo

Guaranteed convergence of a regularized Kohn-Sham iteration in finite dimensions

Svetlana Kotochigova

Temple University

Quantum chemistry with ultracold molecules

Thanh Lam Nguyen

University of Florida, Department of Chemistry

Removal of Laughing Gas N2O by Singlet CH2: A Theoretical Study

Robert Molt

ENSCO and IUPUI

Correlation, Anharmonic Treatments, and Basis Effects in comparing Computational IR Spectroscopy to Experimental Databases

Piotr Rozyczko

European Spallation Source