International Workshop on Recent Developments in Electronic Structure (ES22)

• Timothy Berkelbach (Columbia University and Flatiron Institute)
• Johannes Flick (Flatiron Institute)
• Raquel Queiroz (Columbia University)
• David Reichman (Columbia University)
• Renata Wentzcovitch (Columbia University)

• Susan Atlas (U. New Mexico)
• Jerry Bernholc (NC State)
• Marco Buongiorno Nardelli (Univ. North Texas)
• Roberto Car (Princeton)
• David Ceperley (UIUC)
• James Chelikowsky (UT Austin)
• Mei-Yin Chou (Academia Sinica, Taiwan)
• Natalie Holzwarth (Wake Forest)
• Steven G. Louie (UC Berkeley)
• Richard M. Martin (UIUC, Stanford)
• Normand A. Modine (Sandia)
• Andrew Rappe (UPenn)
• John J. Rehr (Washington)
• David Strubbe (UC Merced)
• Cyrus Umrigar (Cornell)
• David Vanderbilt (Rutgers)
• Lucas K. Wagner (UIUC)
• Shiwei Zhang (Flatiron)

Meeting Location

International House (I-House) - Davis Hall Auditorium
https://www.ihouse-nyc.org/
500 Riverside Drive - use the entrance at 155 Claremont Avenue, which is open 24 hours/day, 7 days/week.
New York, NY 10027
(212) 316-8436
Directions
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Abstracts for invited talks

Poster Session
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Tuesday, May 31, 2022

6:00-10:00 PM: Welcome Reception

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Wednesday, June 1, 2022

8:45-10:45 AM: Introduction & Session 1

• Roberto Car, Princeton University -  "Large Scale Molecular Dynamics Simulations with the Deep Potential Method"
• Nongnuch Artrith, U. of Utrecht NL - "Machine-Learning Potentials for Accurate and Efficient Atomic-Scale Simulations"
• Marivi Fernandez-Serra, Stony Brook University - "Highly accurate and constrained density functional obtained with differentiable programming"

10:45-11:15 AM: Break

11:15 AM-12:25 PM: Session 2

• Talat Rahman, University of Central Florida - "Time-dependent properties of strongly correlated materials: building and applying an ab initio tool"
• Yang Sun, Iowa State University -  "Simulations of iron in the Earth’s inner core conditions"

12:25-2:00 PM: Lunch

2:00-3:45 PM: Session 3

• Dmitri Basov, Columbia University - "Shedding nano-light on quantum materials"
• Feliciano Giustino, UT-Austin - "Phonon-driven Rashba-Dresselhaus effect"
• Max Stengel, Institut de Ciència de Materials de Barcelona - "Flexoelectricity and long-range Coulomb interactions: from 3D to 2D"

3:45-4:15 PM: Break

4:15-5:25 PM: Session 4

• Kyle Sherbert, University of North Texas - "Band theory on a quantum computer"
• Joonho Lee, Columbia University and Google Quantum AI - "A Good Use of Quantum Computers in Quantum Monte Carlo Simulations of Molecules and Solids"

6:00-7:00 PM: Dinner

7:00-10:00 PM: Poster Session

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Thursday, June 2, 2022

9:00-10:45 AM: Session 5

• Claudia Filippi, U. of Twente, NL - "Excited-state calculations with quantum Monte Carlo"
• Kun Chen, CCQ-Flatiron Institute - "Picasso’s bull study and the renormalized theory of valence electrons"
• Miguel Morales, CCQ-Flatiron Institute - "Auxiliary field quantum Monte Carlo of solids"

10:45-11:15 AM: Break

11:15 AM-12:25 PM: Session 6

• Susi Lehtola, Molecular Science Software Institute - "On the reproducibility of density functional approximations"
• Kai-Hsin Liou, UT-Austin - "Real-space methods for large electronic structure calculations"

12:25-2:00 PM: Lunch

2:00-3:45 PM: Session 7

• Chris Marianetti, Columbia University - "Precise ground state of multi-orbital Mott systems via the variational discrete action theory"
• Ismaila Dabo, PennState - "The DFT + U methodology, its implementations, and some applications"
• Yueqing Chang, UIUC - "Effective spin-orbit models using correlated first-principles wave functions"

3:45-4:15 PM: Break

4:15-5:25 PM: Session 8

• Sophie Beck, CCQ-Flatiron Institute - "Charge self-consistency in DFT+DMFT"
• Sohrab Ismail-Beigi, Yale University - "Slave-boson approach for localized electronic interactions: methods and software"

6:00-10:00 PM: Banquet
featuring Nithaya Chetty, University of the Witwatersrand
"Richard Martin – a global inspiration for science and humanity"

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Friday, June 3, 2022

9:00-10:45 AM: Session 9

• Steve Ndengue, University of Rwanda - "Wavepacket studies of the water-dimer: New insights from 12D quantum dynamics"
• Sinead Griffin, Lawrence Berkeley Laboratory - "Nonequilibrium Topological Materials in Space and Time"
• Zhenbang Dai, UPenn - "First-principles calculation of ballistic current"

10:45-11:15 AM: Break

11:15 AM-12:25 PM: Session 10

• Vojtěch Vlček, UC Santa Barbara - "Stochastic vertex corrections to the GW approximation"
• Felipe H. da Jornada, Stanford University - "Excited states in atomically thin moiré materials and their dynamics"

12:25 PM: Lunch and departure

Abstracts
 

1. Zhenbang Dai, UPenn 
   First-principles calculation of ballistic current
    
2. Max Stengel, Institut de Ciència de Materials de Barcelona
   Flexoelectricity and long-range Coulomb interactions: from 3D to 2D
    
3. Kyle Sherbert, University of North Texas 
   Band theory on a quantum computer
    
4. Vojtěch Vlček, UC Santa Barbara 
   Stochastic vertex corrections to the GW approximation
    
5. Kai-Hsin Liou, UT-Austin
   Real-space methods for large electronic structure calculations
    
6. Roberto Car, Princeton University
   Large Scale Molecular Dynamics Simulations with the Deep Potential Method
    
7. Yueqing Chang, UIUC  
   Effective spin-orbit models using correlated first-principles wave functions
    
8. Felipe H. da Jornada, Stanford University
   Excited states in atomically thin moiré materials and their dynamics
    
9. Nongnuch Artrith, U. of Utrecht, NL
   Machine-Learning Potentials for Accurate and Efficient Atomic-Scale Simulations
    
10. Claudia Filippi, U. of Twente, NL 
    Excited-state calculations with quantum Monte Carlo
     
11. Feliciano Giustino, UT-Austin 
    Phonon-driven Rashba-Dresselhaus effect
     
12. Talat Rahman, University of Central Florida
    Time-dependent properties of strongly correlated materials: building and applying an ab initio tool
     
13. Yang Sun, Iowa State University 
    Simulations of iron in the Earth’s inner core conditions
     
14. Miguel Morales, CCQ-Flatiron Institute
    Auxiliary field quantum Monte Carlo of solids
     
15. Joonho Lee, Columbia University and Google Quantum AI
    A Good Use of Quantum Computers in Quantum Monte Carlo Simulations of Molecules and Solids
     
16. Dmitri Basov, Columbia University
    Shedding nano-light on quantum materials
     
17. Sophie Beck, CCQ-Flatiron Institute
    Charge self-consistency in DFT+DMFT
     
18. Kun Chen, CCQ-Flatiron Institute 
    Picasso’s bull study and the renormalized theory of valence electrons
     
19. Chris Marianetti, Columbia University
    Ground state of multi-orbital Mott systems via variational discrete action theory 
     
20. Marivi Fernandez-Serra, Stony Brook University
    Highly accurate and constrained density functional obtained with differentiable programming
     
21. Sinead Griffin, Lawrence Berkeley Laboratory
    Nonequilibrium Topological Materials in Space and Time 
     
22. Ismaila Dabo, PennState
    The DFT + U methodology, its implementations, and some applications
     
23. Sohrab Ismail-Beigi, Yale University
    Slave-boson approach for localized electronic interactions: methods and software
     
24. Susi Lehtola, Molecular Science Software Institute
    On the reproducibility of density functional approximations
     
25. Steve Ndengue, University of Rwanda
    Wavepacket studies of the water-dimer: New insights from 12D quantum dynamics
     
26. Nithaya Chetty, University of Witwatersrand (banquet speaker)
    Richard Martin – a global inspiration for science and humanity

Registration
 

FREE Virtual Registration is still open
(The Zoom webinar link will be sent to you as soon as you register).

Unfortunately, all in-person registration tickets are no longer available.

Please note: Limited travel awards are available for graduate students, postdocs, early career researchers, and URMs. Please complete a travel award application and your request will be reviewed by the conference committee. You will be notified by email if you receive an award.

Poster Session -June 1, 2022, 7-10 PM ET
 

Abstracts: Conference participants are welcome to submit abstracts for invited talks. Please complete the ES22 Abstract & Poster Submission form by May 26, 2022.

Poster submission instructions: The maximum size for posters is 40x36 inches. Please upload an abstract and poster (a pdf file no larger than 40x36 inches) to the ES22 Abstract & Poster Submission form. In addition, please upload a 3-minute audio presentation (mp3 or YouTube link) by May 26, 2022. Both versions will be available to virtual participants. In-person participants: In addition to uploading your poster, please bring a printed version to the workshop.

Conference Location

International House - Davis Hall Auditorium
https://www.ihouse-nyc.org/
500 Riverside Drive -  use the entrance at 155 Claremont Avenue, which is open 24 hours/day, 7 days/week.
New York, NY 10027
(212) 316-8436

Directions

https://www.ihouse-nyc.org/directions-global-student-housing-nyc/

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Dorm & Guest Rooms (Registration for these rooms is now closed)

For guests who are looking for affordable, dorm-like accommodations, there are a considerable number of single rooms available in the International House (I-House). The cost is included in the full registration fee. These are very modest rooms without the bells and whistles of a hotel room. They are not air conditioned and do not have televisions or daily housekeeping. There is a ceiling fan and linens are provided. Wi-fi is also included. Photos: https://www.ihouse-nyc.org/resident-rooms-photo-gallery/
 

Dorm Rooms at International House
https://www.ihouse-nyc.org/
500 Riverside Drive  - use the entrance at 155 Claremont Avenue, which is open 24 hours/day, 7 days/week.
New York, NY 10027
(212) 316-8436

Check in: after 2:00 pm on May 31, 2022
Check out 11:00 am on June 3, 2022
Room type: Single rooms with one twin bed, shared bath down the hall

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Hotel Information

Columbia University Hotel Rates for Visitors
Guests are responsible for paying for their own accommodations. Guests of Columbia University are invited to visit the Columbia Visitors Portal and use the Visitors Online Booking Tool to book Columbia negotiated rates at local hotels. For more information, please see:
https://www.worldtravelinc.com/columbia.visitors.portal

Hotels located near Columbia’s Morningside Campus:

ArtHouse Hotel
https://www.arthousehotelnyc.com/
2178 Broadway at W 77th Street
New York, NY 10024
(212) 362-1100

Aloft Harlem
http://www.aloftharlem.com/
2296 Frederick Douglass Boulevard
New York, NY 10027
(212) 749-4000

Beacon Hotel
https://www.beaconhotel.com/
2130 Broadway at 75 th Street
New York, NY 10023
(212) 787-1100

Lucerne Hotel
https://www.thelucernehotel.com/
201 West 79 th Street
New York, NY 10024
(212) 875-1000

Hotel Belleclaire
https://www.hotelbelleclaire.com/
250 West 77 th Street
New York, NY 10024
(212) 362-7700

Park West Hotel
https://www.parkwesthotelnyc.com/
465 Central Park West #3851
New York, NY 10025
(212) 866-1880

Teachers College Guest Rooms
https://www.tc.columbia.edu/housing/guest--conference-housing/guest-housing/
517 West 121st Street
New York, NY 10027
(212) 678-3235

Warwick Hotel
https://www.warwickhotels.com/warwick-new-york
65 W 54th St,
New York, NY 10019
(212) 247-2700

All visitors, including those who enter any campus facility for any period of time, must be vaccinated and show proof of vaccination as part of visitor attestation.

For more information, please see: https://covid19.columbia.edu/content/visitor-guidelines-spring-2022

There are multiple locations in NYC to get a PCR test.
https://www1.nyc.gov/site/coronavirus/get-tested/covid-19-testing.page

These locations are relatively near the conference site.

NYC Health + Hospitals/NYCHA Manhattanville
Address: 549 W 126th St, New York, NY 10027
Phone: (844) 692-4692

NYC Health + Hospitals/Happy Warrior Playground Address:
779 W 97th St, New York, NY 10025
Phone: (844) 692-4692