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The Electronic Structure Workshop series was originated by David M. Ceperley and Richard M. Martin at the University of Illinois at Urbana-Champaign in 1989. It has been led by Andrew M. Rappe at the University of Pennsylvania since 2015. This workshop covers the development and application of theoretical and computational electronic structure methods for the study of molecules, liquids, and solids. The workshop brings together researchers and practitioners of electronic structure theory from universities, colleges, institutes, and laboratories in the U.S. and abroad. Graduate students, postdoctoral researchers, research scientists, and academic faculty are especially encouraged to attend.

Abstract Booklet Download Link

Event Information

All methodological topics will be encouraged for oral and poster presentations including: 

  • Methods for incorporating self-interaction corrections including traditional methods, hybrid method, and the Fermi-Löwdin method
  • Scalar relativity to four-component implementations
  • Monte Carlo methods
  • Product representations
  • Coupling of electron and nuclear degrees of freedom ranging from Born-Oppenheimer to coupling between nuclei and electrons ranging from deep core to valence electrons
  • Novel use of machine learning, high throughput strategies, and artificial intelligence for coupling theories or improving theories
  • Methods for obtaining localized orbitals
  • New methods for new material- and chemical systems

Talks and posters by both theorists and experimentalists on new findings and challenges for the theoretical communities are encouraged. The conference has a long history of addressing the latest improvements in electronic structure theory. Specific topics of the confirmed speakers are shown below.

Abstract Package

Abstract Booklet

Ryotaro Arita

The University of Tokyo, Komaba

Volker Blum

Duke University

Patrizia Calamanici

Cinestav MX

Tommaso Chiarotti

 Cal Tech

Marcio Costa

Fluminense Federal University, Brazjil

Joseph Cuozzo

Sandia Livermore

Pierre Darancet

Argonne National Laboratory

Robert DiStasio

Cornell University

Sara Giarrusso 

Universite Paris Saclay

Chad Hoyer

UTEP

Sarah Isbill

Oak Ridge National Laboratory

Koblar Jackson

Central Michigan University

Daniel Kaplan

Rutgers University

Youngkuk Kim

Sungkyunkwan University

Winfred Mulwa

Egerton Kenya

Harikrishnan Nair

UTEP

John Perdew

Tulane University

Enrico Perfetto

Rome

Diana Qiu

Yale University

Ren Sheng

Rutgers University

Agnes Valenti

Flatiron Institute

L Weber

Flatiron Institute

A Zunger

University of Colorado - Boulder

The workshop will include two optional, hands-on electronic-structure tutorials free of charge.  These will be on Sunday afternoon and early evening. Those wishing to participate in a second  FLOSIC tutorial may stay for Wednesday afternoon.  

Free access to select activities that are well-suited to online participation will be made available to remote attendees. Early registration for in-person attendance is $350 and includes meals, lodging, and activities.

Contact email: esw25@utep.edu

Travel Tips:

Airlines that travel to El Paso Airport (ELP) include Southwest, Alaska Air, American Airlines, Delta, Frontier, and United. Travelers from overseas can get non-stop connecting flights through Atlanta (ATL, Delta), Dallas Fort Worth (DFW, Several), Denver (DEN, Southwest and other), Houston (IAH, Several),  Los Angeles (LAX, Several), or Seattle (SEA, Alaska Air).  While Southwest has the most flights in and out of El Paso and may be the most convenient airline for domestic flights, international travelers should note that their flights out of Chicago, Houston, and Dallas are not from the international airports.

El Paso Airport (ELP) is approximately 8.5 miles from the UTEP campus. The easiest, fastest, and most efficient way to get from ELP to the Hilton Garden Inn or the University dorms is using Uber, Lyft, or Taxi. Travelers should expect to pay approximately $20 each way. Travelers staying in dorms can take shuttle buses (subject to summer shuttle schedule) and/or walk to and from campus. The distance is 0.30 to 1.5 miles depending on location. Travelers staying in the Hilton Garden Inn can walk to the meeting in less than five minutes.  Car/Taxi/Uber/Lyft pools back to the airport will be arranged.

Early June typically experiences temperatures that are mild by El Paso standards (<98F/36C degrees) but average June highs of 105F/41C degrees have been recorded in recent years. Guests are also reminded that El Paso is arid and at moderately high altitudes (4000-4500 ft). Visitors are highly encouraged to wear sunscreen, bring wide-brim hats and umbrellas, and stay well-hydrated while walking during the heat of the day.

Participants who prefer to experience the grandeur of old El Paso and wish to stay downtown can choose from a selection of historically significant hotels with excellent views of the El Paso del Norte Region. Early-morning hikes in the Franklin mountains or early-morning/late-afternoon strolls in the downtown area or down El Paso Street to the border are some of the activities that can be enjoyed during your stay.

Additional information will be available on the website soon.

Important Dates and Costs

  • Regular Workshop Registration (April 30, 2025, in-person attendance): $350 
    • First 100 registrants are guaranteed dormitory lodging
    • Hotel accommodations (Hilton Garden Inn) available within 5 minutes of the workshop
  • Online-only attendance (June 11, 2025): Free
  • Deadline to cancel registration (until May 15, 2025): Full refund minus a $50 processing fee
  • No refunds will be processed after May 16, 2025.
  • We encourage you to register early to take advantage of guaranteed lodging for the first 100 registrants.