Welcome to the Subotnik Research Group
Research Focus:
Research in the Subotnik group focuses on three different areas in chemical physics: electron and energy transfer, molecular conduction, and electronic structure theory (with an emphasis on excited states). Broadly speaking, we are interested in merging electronic structure theory techniques and nonadiabatic dynamics towards understanding the behavior of quantum mechanical electrons in condensed environments. See our research page for more information.
Representative Publications:
Landry and Subotnik. Standard Surface Hopping Predicts Incorrect Scaling for Marcus’ Golden-Rule Rate: The Decoherence Problem Cannot Be Ignored J. Chem. Phys. Communication 135, 191101 (2011) [PDF] AccessJCP
Subotnik. Configuration interaction singles has a large systematic bias against charge-transfer states
J. Chem. Phys. Communication 135, 071104 (2011) [PDF] AccessJCP
Subotnik, Cave, Steele and Shenvi.
The Initial and Final States of Electron and Energy Transfer Processes: Diabatic States as Motivated by System-Solvent Interactions
FOR A LINK TO THE QCHEM DEVELOPER MEETING, AUGUST 17-18, 2012,
(JUST BEFORE FALL ACS MEETING): click here.
