Quantum Chemistry Workshop

Date & Time

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.

  • Invited Participantsplus--large
    Robert AndersonKings College London
    Alán Aspuru GuzikHarvard University
    Victor BatistaYale University
    Tim BerkelbachUniversity of Chicago
    George BoothKings College London
    David CeperleyUniversity of Illinois/ Flatiron Institute CCQ
    Garnet ChanCalTech
    Xi ChenCCQ
    Martin ClaassenCCQ
    Antoine GeorgesCCQ
    Alexandru GeorgescuCCQ
    Thomas HendersonRice University
    Gabi KotliarRutgers/ Flatiron Institute CCQ
    Peter LuntsCCQ
    Jarrod McLeanLawrence Berkeley National Laboratory (LBL)
    Andy MillisCCQ
    Mario MottaCalTech
    David ReichmanColumbia University
    Angel RubioFlatiron Institute CCQ/ MPSD Hamburg
    Gustavo ScuseriaRice University
    James SheeColumbia University
    Hao ShiCCQ
    Miles StoudenmireCCQ
    Daniel TaborHarvard University
    Tyler TakeshitaUC Berkeley
    Cyrus UmrigarCornell University
    Pablo VidelaYale University
    Steven WhiteUC Irvine
    Dominika Zgid University of Michigan
    Shiwei ZhangCollege of William and Mary
  • Agendaplus--large

    Monday, November 20

    8:00 - 9:00 AMBreakfast
    9:00 - 9:15 AMAntoine Georges, Andy Millis, Angel RubioWelcome and Introduction
    Morning SessionChallenges in QC: a modern perspective
    9:15 - 10:00 AMGarnet ChanModern directions in quantum chemistry
    10:00 - 10:45 AMAlan Aspuru-GuzikFive grand challenges for the practitioners of computer simulation for the twenty-first century
    10:45 - 11:15 AMBreak
    11:15 - 12:00 PMGustavo ScuseriaChallenges and New Directions in Quantum Chemistry
    12:00 - 12:45 PMJarrold McLeanQuantum computation for chemistry and materials
    12:45 - 2:30 PMLunch, Discussion and Posters
    Afternoon SessionQuantum Chemistry view on strongly correlated systems
    2:30 - 3:15 PMTim BerkelbachElectronic excitations in the condensed phase
    3:15 - 4:00 PMGeorge BoothData-driven wavefunctions and a description of extensive strong correlation
    4:00 - 4:30 PMBreak
    4:30 - 5:15 PMDominika ZgidCan Green's function embedding methods alleviate some of the current challenges in quantum chemistry?
    5:15 - 6:00 PMRound TableQuantum Chemistry and strongly correlated systems: connections to materials science
    6:30 PM and onDinnerPark Avenue Autumn; 360 Park Ave. South

    Tuesday, November 21

    8:00 - 9:00 AMBreakfast
    Morning SessionMethodological Developments in Quantum Chemistry
    9:00 - 9:45 AMShiwei ZhangQuantum chemistry from an auxiliary-field perspective
    9:45 - 10:30 AMVictor BatistaTensor train algorithms for quantum dynamics simulations of excited statenonadiabatic processes, quantum control and electronic friction
    10:30 - 11:00 AMBreak
    11:00 - 11:45 AMCyrus UmrigarSemistochastic Heat-bath Configuration Interaction Method
    11:45 - 12:30 PMSteve WhiteImproving quantum chemistry DMRG with more local bases
    12:30 - 1:15 PMDavid ReichmanTheory of the photophysical properties of hybrid perovskite materials
    1:15 - 3:15 PMLunch and Discussion
Advancing Research in Basic Science and MathematicsSubscribe to Flatiron Institute announcements and other foundation updates