Workshop - Collective Variables in Quantum Mechanics, USA

Publish Date: Sep 28, 2016


MPSWS3 ImageMany-particle quantum systems can be completely described by N-body wave functions or density matrices. However, such objects are high-dimensional and extremely difficult both to compute and to apprehend with physical intuition, especially for extended systems. In most applications, though, only a tiny part of the information available in many-particle quantum states is really useful. For instance, the requested output of an electronic structure calculation are often simply the effective forces experienced by the atoms of the molecular system. Such quantities could be obtained at a much lower cost using reliable interatomic potentials. Likewise, collective quasiparticle states (molecular or crystalline orbitals, plasmons, phonons, polarons, excitons, etc.) allow one to describe the properties of many-particle quantum systems with lower-dimensional objects, which are easier to visualize and can be computed accurately enough for most physical systems, by means of effective one-particle (Kohn-Sham, TDDFT, GW, …) or two-particle (Bethe-Salpeter equation, …) models. For these reasons, such states play an essential role in condensed matter physics and materials science.

This workshop will bring together a mix of mathematicians, physicists, chemists, computer scientists, and biologists to address some of the following questions: Can machine learning (ML) techniques be used to create ab-initio accurate interatomic potentials? Can they generate quasiparticle states or approximations thereof given only the molecular Hamiltonian as an input and macroscopic observables as an output? On a larger scale and going towards materials design (materials genomics): how can one generate the necessary and sufficient data to use ML approaches to infer the important collective variables (“materials genes”, scaling relations, etc.)?

This workshop will include a poster session; a request for poster titles will be sent to registered participants in advance of the workshop.

Organizing Committee

Eric Cances (École Nationale des Ponts-et-Chaussées, Applied Mathematics)
Gabor Csanyi (University of Cambridge)
Stéphane Mallat (École Normale Supérieure)
Noa Marom (Carnegie-Mellon University, Physics and Engineering Physics)
Alexandre Tkatchenko (University of Luxembourg, Theory)


IPAM has room blocks at the following local hotels for workshop participants. Please identify yourself as an IPAM guest when you make your reservation. You may also consult IPAM’s Hotel Page for other options. Speakers and participants receiving IPAM support should read their offer letters and the Policies page for specific instructions and limitations.

UCLA’s Luskin Conference Center is a short walk from IPAM. IPAM has negotiated a rate of $190 per night. Parking is available nearby for $12 per night. Please book your room a full month in advance of the first day of the workshop; after that, the hotel may not have rooms available at the IPAM rate. If booking online, enter IPAM as the Corporate Number.

Application & Registration

The application form is for those requesting financial support to attend the workshop. We urge you to apply early. Applications received by Monday, September 19, 2016 will receive fullest consideration. Questions and supporting documents should be sent to the email below. Successful applicants will be notified as soon as funding decisions are made. If you do not need or want to apply for funding, you may simply register. IPAM will close registration if we reach capacity; for this reason, we encourage you to register early.

We have funding especially to support the attendance of recent PhD’s, graduate students, and researchers in the early stages of their career; however, mathematicians and scientists at all levels who are interested in this area are encouraged to apply for funding. Encouraging the careers of women and minority mathematicians and scientists is an important component of IPAM’s mission and we welcome their applications.

Please send your questions and supporting documents to:

Registration fees must be received two weeks in advance of the first day of the workshop to qualify for the early registration fees listed above. After that date, registration fees increase by $10. There are no refunds of registration fees, barring extenuating circumstances.

To APPLY ONLINE click "Further official information" below.

Further Official Information

Link to Original

Similar Opportunities


Applied Mathematics


Eligible Countries


Host Countries

United States