A select group of theoretical chemists will join CCQ staff and local scientists in exploring existing methods and future directions in theoretical quantum chemistry. The workshop will focus both on achieving chemical accuracy for larger and more strongly correlated quantum systems and on defining methods for identifying can calculating dynamical responses and reaction pathways.
Open to CCQ members and, due to space limitations, to others by invitation only.
Robert Anderson Kings College London Alán Aspuru Guzik Harvard University Victor Batista Yale University Tim Berkelbach University of Chicago George Booth Kings College London David Ceperley University of Illinois/ Flatiron Institute CCQ Garnet Chan CalTech Xi Chen CCQ Martin Claassen CCQ Antoine Georges CCQ Alexandru Georgescu CCQ Thomas Henderson Rice University Gabi Kotliar Rutgers/ Flatiron Institute CCQ Peter Lunts CCQ Jarrod McLean Lawrence Berkeley National Laboratory (LBL) Andy Millis CCQ Mario Motta CalTech David Reichman Columbia University Angel Rubio Flatiron Institute CCQ/ MPSD Hamburg Gustavo Scuseria Rice University James Shee Columbia University Hao Shi CCQ Miles Stoudenmire CCQ Daniel Tabor Harvard University Tyler Takeshita UC Berkeley Cyrus Umrigar Cornell University Pablo Videla Yale University Steven White UC Irvine Dominika Zgid University of Michigan Shiwei Zhang College of William and Mary
Monday, November 20
8:00 - 9:00 AM Breakfast 9:00 - 9:15 AM Antoine Georges, Andy Millis, Angel Rubio Welcome and Introduction Morning Session Challenges in QC: a modern perspective 9:15 - 10:00 AM Garnet Chan Modern directions in quantum chemistry 10:00 - 10:45 AM Alan Aspuru-Guzik Five grand challenges for the practitioners of computer simulation for the twenty-first century 10:45 - 11:15 AM Break 11:15 - 12:00 PM Gustavo Scuseria Challenges and New Directions in Quantum Chemistry 12:00 - 12:45 PM Jarrold McLean Quantum computation for chemistry and materials 12:45 - 2:30 PM Lunch, Discussion and Posters Afternoon Session Quantum Chemistry view on strongly correlated systems 2:30 - 3:15 PM Tim Berkelbach Electronic excitations in the condensed phase 3:15 - 4:00 PM George Booth Data-driven wavefunctions and a description of extensive strong correlation 4:00 - 4:30 PM Break 4:30 - 5:15 PM Dominika Zgid Can Green's function embedding methods alleviate some of the current challenges in quantum chemistry? 5:15 - 6:00 PM Round Table Quantum Chemistry and strongly correlated systems: connections to materials science 6:30 PM and on Dinner Park Avenue Autumn; 360 Park Ave. South
Tuesday, November 21
8:00 - 9:00 AM Breakfast Morning Session Methodological Developments in Quantum Chemistry 9:00 - 9:45 AM Shiwei Zhang Quantum chemistry from an auxiliary-field perspective 9:45 - 10:30 AM Victor Batista Tensor train algorithms for quantum dynamics simulations of excited statenonadiabatic processes, quantum control and electronic friction 10:30 - 11:00 AM Break 11:00 - 11:45 AM Cyrus Umrigar Semistochastic Heat-bath Configuration Interaction Method 11:45 - 12:30 PM Steve White Improving quantum chemistry DMRG with more local bases 12:30 - 1:15 PM David Reichman Theory of the photophysical properties of hybrid perovskite materials 1:15 - 3:15 PM Lunch and Discussion