Experimental and Computational Approaches to Understanding Aqueous Interfaces Workshop

Support for this workshop has been provided by the Office of the Vice President for Research - Temple University.

Event Date & Time:
Friday, March 24, 2017
8:30 am - 6:00 pm
excluding off-site dinner

Event Location: 
Temple University 
Rooms 702 & 703
7th Floor, SERC Building
1925 N. 12th Street
Philadelphia, PA 19122

This is a free event. Attendees are responsible for their own travel and poster printing.

For Poster Presenters: 

  • Posters must be 30" x 40."  
  • Easels, pins, and poster tape will be provided on-site.  
  • There is no poster template for this workshop.

Registration is closed for this event. 


Registration & Coffee [8:30am-9:00am]

Session 1: Chair - Rick Remsing
SERC room 703

  • Opening [9:00am-9:10am] Michael L. Klein, Temple University, Welcome Remarks
  • Talk 1 [9:10am-9:40am] John Perdew, Temple University, Density functional theory for materials discovery: Strong Constraints and Appropriate Norms (SCAN)
  • Talk 2 [9:40am-10:10am] Xifan Wu, Temple University, H-bond network, proton transfer, and electron excitation of liquid water and aqueous solutions
  • Talk 3 [10:10am-10:40am] Eric Borguet, Temple University, Vibrational spectroscopy & dynamics at aqueous interfaces

Coffe Break - 10:40-10:55
SERC room 702

Session 2: Chair - Qimin Yan
SERC room 703

  • Talk 4 [10:55am-11:25am] Dan Strongin, Temple University, Using theory and computation to enhance the activity of layered electrocatalysts for the oxygen and hydrogen evolution reactions
  • Talk 5 [11:25am-11:55am] Rick Remsing, Temple University, Chemical dynamics at water-mineral interfaces
  • Talk 6 [11:55am-12:25pm] Joe Subotnik, University of Pennsylvania, Models of charge injection and coupled nuclear motion at metal-liquid surfaces

Lunch break and Poster Session - [12:25pm-1:45pm]
SERC room 702

Session 3: Chair - Mohsen Yeganeh
SERC room 703

  • Talk 7 [1:45pm-2:15pm] Marie-Pierre Gaigeot, Université Evry, Paris, Ab initio MD modeling of aqueous interfaces
  • Talk 8 [2:15pm-2:45pm] Arben Jusufi, Exxon-Mobil, Molecular modeling of molecule adsorption on liquid and solid surfaces
  • Talk 9 [2:45pm-3:15pm] Enzo Carnevale, Temple University, Modeling aqueous systems at solid surfaces”

Coffee Break - [3:15pm-3:30pm]
SERC room 702

Session 4: Chair - Eric Borguet
SERC room 703

  • Talk 10 [3:30pm-4:00pm] John Weeks, University of Maryland, Local pinning and dewetting near heterogeneous surfaces from the Local Molecular Field theory perspective
  • Talk 11 [4:00pm-4:30pm] Hai-Lung Dai, Temple University, Nonlinear light scattering from surfaces of liquid droplets and colloidal objects
  • Talk 12 [4:30pm-4:40pm] Eric Borguet, Temple University, Closing Remarks

Dinner (off-site) - [6:00pm]



  • Chau Nguyen