Princeton Center for Theoretical Science The Princeton Center for Theoretical Science is dedicated to exploring the frontiers of theory in the natural sciences. Its purpose is to promote interaction among theorists and seed new directions in research, especially in areas cutting across traditional disciplinary boundaries. The Center is home to a corps of Center Postdoctoral Fellows, chosen from nominations made by senior theoretical scientists around the world. A group of senior Faculty Fellows, chosen from science and engineering departments across the campus, are responsible for guiding the Center. Center activities include focused topical programs chosen from proposals by Princeton faculty across the natural sciences. The Center is located on the fourth floor of Jadwin Hall, in the heart of the campus “science neighborhood”. The Center hopes to become the focus for innovation and cross-fertilization in theoretical natural science at Princeton. Faculty Fellows Paul Steinhardt, Director Igor Klebanov, Associate Director Adam Burrows Curtis Callan Garnet Chan Pablo Debenedetti David Huse Howard Stone Center Postdoctoral Fellows Ian Abel 2013-2016 Timothy Berkelbach 2014-2017 Daniel Harlow 2012-2015 Anna Ijjas 2014-2017 Samuel Lee 2012-2015 Yi Li 2013-2016 David Limmer 2013-2016 Mark Mezei 2014-2017 Rahul Nandkishore 2012-2015 Titus Neupert 2013-2016 David Pinner 2014-2017 Curt von Keyserlingk 2014-2017 To find out more about Center Postdoctoral Fellowships and Programs see: http://pcts.princeton.edu/pcts Numerical Approaches to Nonadiabatic Dynamics 21-22 November 2014 Jadwin Hall, Room 407 Workshop Organizers Timothy Berkelbach Garnet Chan David Limmer Numerical Approaches to Nonadiabatic Dynamics Numerical Approaches to Nonadiabatic Dynamics Friday, 21 November 2014 Saturday, 22 November 2014 8:00 am 8:40 Breakfast Welcome and Introductions 8:00 am Breakfast 8:50 8:50 “A theoretical basis for surface hopping dynamics” Joe Subotnik “Accurate multi-dimensional non-adiabatic quantum dynamics using the MCTDH method” Graham Worth 9:40 “On decoherence and memory in the approximate treatment of non-adiabatic transitions in condensed phase problems” David Reichman 9:40 "Multidimensional quantum mechanics with trajectory guided basis sets of Coherent States” Dmity Shalashilin 10:30 Coffee Break 10:30 Coffee Break 10:50 “Quantum dynamics in open quantum-classical systems” Ray Kapral 10:50 "Path-integral-based methods for non-adiabatic chemical reactions” Tom Miller 11:40 "Linearized semiclassical path integral approaches to nonadiabatic dynamics” David Coker 11:40 "Novel path-integral based dynamics for photochemistry” Nandini Ananth 12:30 pm Lunch at PCTS, Jadwin Hall, Fourth Floor 12:30 pm Lunch at PCTS, Jadwin Hall, Fourth Floor 1:50 "Master equations and semiclassics: Exploiting complementarity” Tom Markland 2:00 Adjournment 2:40 "Nonequilibrium reduced dynamics in the extended Holstein model” Eran Rabani 3:30 Coffee Break 3:50 “Time-dependent electronic and nuclear potentials that exactly capture electron-ion coupling” Neepa Maitra 4:40 “Avoiding the Born-Oppenheimer separation between electrons and protons: Nuclear-electronic orbital techniques” Sharon Hammes-Schiffer 5:30 Adjournment