Advancing Quantum Mechanics with Mathematics and Statistics

March 7 - June 10, 2022

Seminar Series

All times in this Schedule are Pacific Time (PT)

Tuesday, March 15, 2022
2:30 - 3:00
Brian Ernst (Cornell University)

Some applications of density functional theory to organic chemistry

3:00 - 3:30 Tea Time
3:30 - 4:00
Kevin Stubbs (University of California, Los Angeles (UCLA))

A Mathematical Perspective on Wannier Functions


Thursday, March 17, 2022
2:30 - 3:00
Szabolcs Góger (University of Luxembourg)

Non-Local Polarizability Densities for van der Waals Interactions

3:00 - 3:30 Tea Time
3:30 - 4:00
Zeno Schätzle (Freie Universität Berlin)

PauliNet: A deep-neural-network trial wave function for variational Quantum Monte Carlo


Tuesday, March 22, 2022
2:30 - 3:00
Marcel Langer (Fritz-Haber-Institut der Max-Planck-Gesellschaft)

Thermal Transport with Message-Passing Neural Networks and the Green-Kubo Method

3:00 - 3:30 Tea Time
3:30 - 4:00
Max Pfeffer (Technische Universität Chemnitz)

Particle number conservation and block structures in Matrix Product States


Wednesday, March 23, 2022
2:00 - 3:00
Oleg Prezhdo (University of Southern California (USC))

Guest Speaker: Nonadiabatic Molecular Dynamics of Nanoscale Systems

3:00 - 3:30 Tea Time
4:00 - 5:00
Rafael Lainez Reyes (University of California, Santa Barbara (UCSB))

TUTORIAL: Hartree-Fock and Self Consistent Iteration


Thursday, March 24, 2022
2:30 - 3:00
Mihail Bogojeski (Technische Universität Berlin)

Machine learning for electronic structure

3:00 - 3:30 Tea Time
3:30 - 4:00
Gil Goldshlager (University of California, Berkeley (UC Berkeley))

Neural network representations for antisymmetric functions


Tuesday, April 5, 2022
2:30 - 3:00
Abigail Poteshman (University of Chicago)

Recovering hyperfine interactions in random nuclear spin baths

3:00 - 3:30 Tea Time
3:30 - 2:00
Kangbo Li (Cornell University)

PBC and Wannier functions


Thursday, April 7, 2022
2:30 - 3:00
Muhammad Hassan (Université de Paris VI (Pierre et Marie Curie))

Approximating Energy Bands in the Brillouin Zone

3:00 - 3:30 Tea Time
3:30 - 4:00
Kangbo Li (Cornell University)

A Taste of Julia


Tuesday, April 19, 2022
2:30 - 3:00
Eloïse Letournel (École Nationale des Ponts-et-Chaussées (ENPC))

 

3:00 - 3:30 Tea Time

Tuesday, April 26, 2022
3:30 - 4:00
Almaz Khabibrakhmanov (University of Luxembourg)

Towards the Universal van der Waals Potential


Wednesday, April 27, 2022
2:00 - 3:00
Troy van Voorhis (Massachusetts Institute of Technology)

Guest Speaker: Title TBD


Thursday, April 28, 2022
2:30 - 3:00
Gaspard Kemlin (École des Ponts ParisTech)

Practical error bounds for properties in plane-wave electronic structure calculations


Tuesday, May 10, 2022

Morning Session
10:00 - 11:00
Mihail Bogojeski (Technische Universität Berlin)

[ML Mini-WS] Equivariant Neural Networks

2:00 - 3:00
Jack Thomas (University of Warwick)

[ML Mini-WS] Physics-Informed Models


Wednesday, May 11, 2022

Morning Session
10:00 - 11:00
Jan Thorben Frank (Technische Universität Berlin)

[ML Mini-WS] Geometric Attention

2:00 - 3:00
Adil Kabylda (University of Luxembourg)

[ML Mini-WS] Long-Range Interactions


Thursday, May 12, 2022

Morning Session
10:00 - 11:00
Yangshuai Wang (University of British Columbia)

[ML Mini-WS] Error Propagation

2:00 - 3:00
Alice Allen (University of Luxembourg)

[ML Mini-WS] Machine learning of material properties: Predictive and interpretable multilinear models

3:00 - 3:30 Tea Time

Tuesday, May 17, 2022
2:30 - 3:00
Zachary Sparrow (Cornell University)

Towards Routine Use of Hybrid DFT for Large-Scale Finite-Gap Condensed-Phase Systems

3:00 - 3:30 Tea Time

Wednesday, May 18, 2022

QM 2D Moiré Scale Mini-Workshop (May 18-20)

Morning Session
8:15 - 9:00 Breakfast (hosted by IPAM)
9:00 - 9:15 QM Moiré Scale Mini-Workshop Introduction
9:15 - 10:30
Stephen Carr (Brown University)

QM Moiré Scale Mini-Workshop: An introduction to 2D materials and Moiré physics

10:30 - 11:00 Break
11:00 - 12:15
Maciej Zworski (University of California, Berkeley (UC Berkeley))

QM Moiré Scale Mini-Workshop: Spectral theory of the chiral model of TBG

12:15 - 2:00 Lunch (on your own)

Afternoon Session
2:00 - 3:15
Allan MacDonald (University of Texas at Austin)

QM Moiré Scale Mini-Workshop: Moire Materials Models

3:15 - 3:30 Break
3:30 - 4:45
Lin Lin (University of California, Berkeley (UC Berkeley))

QM Moiré Scale Mini-Workshop: Interacting models for twisted bilayer graphene


Thursday, May 19, 2022

QM 2D Moiré Scale Mini-Workshop (May 18-20)

Morning Session
8:15 - 9:00 Breakfast (hosted by IPAM)
9:00 - 10:15
Michael Zaletel (University of California, Berkeley (UC Berkeley))

QM Moiré Scale Mini-Workshop: The strong-coupling theory of magic-angle graphene

10:15 - 10:30 Break
10:30 - 11:45
Svetlana Jitomirskaya (University of California, Irvine (UCI))

QM Moiré Scale Mini-Workshop: Opening and closing of the gaps in the extended Harper's model

12:00 - 2:00 Lunch (on your own)

Afternoon Session
2:00 - 3:15
Alexander Watson (University of Minnesota, Twin Cities)

QM Moiré Scale Mini-Workshop: Justification of the BM model and WKB construction of flat band wavefunctions

3:15 - 3:30 Break
3:30 - 4:45
Eric Cances (École Nationale des Ponts-et-Chaussées)

QM Moiré Scale Mini-Workshop: From Kohn-Sham to Bistritzer-MacDonald and related models


Friday, May 20, 2022

QM 2D Moiré Scale Mini-Workshop (May 18-20)

Morning Session
8:15 - 9:00 Breakfast (hosted by IPAM)
10:15 - 10:30 Break
10:30 - 11:45
Mitchell Luskin (University of Minnesota, Twin Cities)

QM Moiré Scale Mini-Workshop: A framework for the electronic structure and mechanical relaxation of 2D multilayer heterostructures

12:00 - 2:00 Lunch (on your own)

Afternoon Session
2:00 - 3:15
Ziyan Zhu (Harvard University)

QM Moiré Scale Mini-Workshop: Low-energy moiré phonons in twisted bilayer van der Waals heterostructures

3:15 - 3:30 Break
3:30 - 4:45
Stephen Carr (Brown University)

QM Moiré Scale Mini-Workshop: Seeing Moiré: Learning twistronics with a convolutional neural net