West Coast Theoretical Chemistry Symposium: Schedule

Sapp Center, Stanford University, 28th March 2018, 8:00am - 6:00pm

Download the schedule as a PDF.

Download the poster list as a PDF

Breakfast and Welcome - 8:00am-8:45am
Session 1: 8:45am - 10:40am, Chair - Lee-Ping Wang, UC Davis
  • 8:45am - Welcome and Introduction
  • 9:00am - Raphael D. Levine, UCLA, "An Isotope Effect in the Electron-Nuclear Non-equilibrium Dynamics in N2"
  • 9:40am - Daniel Levine, UC Berkeley, "Extremely Large Active-Space Calculations with Adaptive Sampling Configuration Interaction"
  • 10:00am - Alexei Stuchebrukhov, UC Davis, "Concerted Tunneling of Electrons and Protons in Proteins"
Coffee Break: 10:40am - 11:00am
Session 2: 11:00am - 12:20pm, Chair - David Limmer, UC Berkeley
  • 11:00am - Katherine Klymko, UC Berkeley, "Towards a Thermodynamics of Continuous Active Media"
  • 11:20am - Chenchen Song, Stanford, "Reduced Scaling Formulation of Multi-reference Perturbation Theory via Supporting Subspaces and Tensor Hyper-Contraction"
  • 11:40am - Hans Andersen, Stanford, "Why is the Verlet Algorithm so Useful for Molecular Dynamics Simulations?"
Lunch and Poster Session: 12:20pm - 2:00pm
Session 3: 2:00pm - 4:00 pm, Chair - Evan Reed, Stanford
  • 2:00pm - Anne McCoy, U Washington, "Spectral Signatures of Hydrogen-bonding: Vibrational Spectroscopy of Solvated Ions"
  • 2:40pm - Christine Isborn, UC Merced, "Modeling the Absorption Spectra of Molecules in Solution: Combining the Ensemble and Franck-Condon Approaches"
  • 3:20pm - Julia Rice, IBM Almaden, "Quantum Computing and Quantum Chemistry: Where are we today and what is the potential for the future?"
Coffee Break: 4:00pm - 4:20pm
Session 4: 4:20pm - 6:00 pm, Chair - Hrant Hratchian, UC Merced
  • 4:20pm - Eric Neuscamman, UC Berkeley, "Interconverting Variational Principles for Excited States"
  • 4:40pm - Ilan Benjamin, UC Santa Cruz, "Reactions at Liquid Interfaces: The Interplay Between Surface Fluctuations and Local Structure and Dynamics"
  • 5:20pm - Thom Dunning, U Washington, "A "New" Multiconfiguration Description of Molecules"
Final Remarks/Close 6:00pm

*Invited talks are 30 mins followed by 10 mins for questions. Contributed talks are 15 mins followed by 5 mins for questions.