First principles quantum dynamics calculations of and on many-electron states
First principles electronic structure calculation methods have made great advances during the past couple of decades and fairly accurate calculations of ground and some excited many electron states for a broad range of molecular and solid materials have become possible. However, extension of these methods for real time dynamics involving general many-electron states still remain challenging. This workshop invites leading exerts in real time electron dynamics, ab initio molecular dynamics, and novel methods for large-scale calculations who can offer solutions and address key issues.
SCHEDULE
9:00 am - 9:30 am - Reception and Breakfast
9:30 am - 10:40 am - Filipp Furche, UC Irvine,
“CT symmetry in time-dependent many-electron dynamics"
10:50 am - 12:00 pm - Youske Kanai, University of North Carolina, Chapel Hill,
“Real-time TDDFT for simulating nonequilibrium electron dynamics”
12:00 pm -1:30 pm - Lunch
1:30 pm - 2:40 pm - Benjamin Levine, Stony Brook University,
“Ab initio molecular dynamics on many electronic states”
2:50 pm - 4:00 pm - Lyudmila Slipchenko, Purdue University,
“Deciphering energy transfer with multi scale molecular modeling”
4:10 pm - 5:20 pm - Timothy Berkelbach, Columbia University,
“Ab initio quantum chemistry for solids”
ORGANIZER
Seogjoo J. Jang, PhD
Professor, Department of Chemistry and Biochemistry
Queens College, City University of New York