Northern California Theoretical Chemistry Meeting

19th May 2019, UC Berkeley.
Space is limited: First come, first served.

Martin Head-Gordon, David Limmer, Eran Rabani

Invited Participants

Ilan Benjamin, UC Santa Cruz
Davide Donadio, UC Davis
Teresa Head-Gordon, UC Berkeley
Tom Markland, Stanford
Todd Martinez, Stanford

Eric Neuscamman, UC Berkeley
Yuan Ping, UC Santa Cruz
Aurora Pribram-Jones, UC Merced
Lee-Ping Wang, UC Davis


The Northern California Theoretical Chemistry Meeting aspires to assemble faculty, graduate students and postdoctoral researchers from all institutions in the Northern California region, to discuss and present their theoretical chemistry research.

The meeting will include a full day conference in 120 Latimer Hall with morning and afternoon sessions featuring topics like:

  • Novel theories and algorithms for electronic structure theory
  • Statistical mechanics of complex materials, biological systems and  soft matter
  • Quantum dynamics in condensed phases
  • Multi-scale modeling
Full Program

8:00 AM Breakfast
8:45 AM Opening remarks

Session 1: Chair: Ilan Benjamin, UC Santa Cruz

  • 9:00 AM Teresa Head-Gordon, UC Berkeley: Chemical Reactivity in Complex Environments
  • 9:40 AM Contributed Talk – Tim Zuehlsdorff, UC Merced: Static and dynamic approaches to computing spectral lineshapes 
  • 10:00 AM Tom Markland, Stanford: Paddling in the deep end: unraveling proton defect dynamics with machine learning and path integrals

10:40 AM Coffee Break

Session 2: Chair: Todd Martinez, Stanford

  • 11:10 AM Lee-Ping Wang, UC Davis: Recovering from self-consistent field convergence failure in Born-Oppenheimer molecular dynamics with a Car-Parinello monitor
  • 11:50 AM Shunda Chen, UC Davis: Controlling Heat Transfer at Nanoscale

12:10 PM Lunch and Poster Session

Session 3: Chair: Eric Neuscamman, UC Berkeley

  • 3:10 PM Yuan Ping, UC Santa Cruz: Excited State Dynamics for Defects in Two-dimensional Materials for Quantum Information
  • 3:50 PM Alice Walker, Stanford: Mechanistic insights into photodecarboxylation of fatty acids from classical and QM/MM simulations

4:10 PM Coffee Break

Session 4: Chair: Davide Donadio, Davis

  • 4:40 PM Aurora Pribram-Jones, UC Merced: New Approaches to Temperature-Dependent Density Functional Approximations
  • 5:20 PM Layne Frechett, UC Berkeley: Mean-field critical behavior and dynamics of a model lattice-mismatched solid

5:40 PM Closing remarks