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Expeditious Methods in Electronic Structure Theory and Many Body Techniques
From Sunday 17 December 2017
To Wednesday 20 December 2017
Contact Yael Yogev (cecam@tau.ac.il)

 

Organizers

Workshop's Poster

Workshop Description

Participants

Program

Speakers' Presentations

Registration

Transportation

Accomodation

Venue

Weather


Organizers 

Roi Baer (Hebrew University of Jerusalem, Israel)
Eran Rabani (Tel Aviv University, Israel; University of California, Berkeley, USA )

 


Workshop's Poster

 The workshop poster is available here.


 

Workshop Description

 Electronic structure involves a basic science study of the electronic excitations in molecular and nanostructured systems with significant technological implications. The role of theory in this field is to predict properties of materials as well as nanostructured and supramolecular systems. Hence the main challenges facing electronic structure theory are: predictive power and applicability for large systems. Predictivity implies the development of first-principles high-level treatments of electron correlations while tackling large systems requires low computational complexity. Progress is slow since these two requirements are mutually exclusive: high-level theories of electron correlation involve high computational complexity.[Whitfield2013]

In the past two decades approaches for low-scaling ab initio methods, based on density functional theory and perturbation theory, have been developed with varying degree of generality and success.[Goedecker1999, Gillan2007, Beer2008] However, unlike the quantum Monte Carlo methods for quantum chemistry, stochastic methods for electronic structure have not yet found a central role in the field. This situation is now changing as a surge of new ideas concerning stochastic quantum processes is observed. The proposed workshop is intended to bring together researchers that are developing new stochastic methods or low scaling high precision methods for electronic structure of large systems. The basic hope is that such a workshop can synergistically inspire researchers to develop new ideas and paradigms which can be used

Stochastic methods involve, necessarily, a stochastic process that allows efficient sampling of the configurational space from which the computed quantity can be estimated. The best known methods, such as variational, diffusion and Green's function Monte Carlo have already proved strengths and (unavoidably) weaknesses.[#Nightingale1999, #Hammond1994, #Gubernatis2016] Many workshops and schools on QMC methods are held annually and it is not our goal to entertain an additional meeting on this topic. Instead we aim at stochastic methods for the community developing techniques for accelerating the calculation of approximate (but highly accurate) electron correlation theories.

Such stochastic methods concerning electron correlation have recently been published, such as the stochastic CI [#Booth2009, #Ten-no2013, #Thomas2015], stochastic DFT,[#Baer2013, #Neuhauser2015], coupled-cluster and perturbation theory [#Thom2010, #Thom2007a, #Willow2012, #Neuhauser2013], random phase approximation,[#Neuhauser2013a] GW theory[#Neuhauser2014], response and Bethe-Salpeter equation,[#Neuscamman2013, #Rabani2015], theory of multiexciton generation rates in nanocrystals.[#Baer2012a] and continuous time Monte Carlo for nonequilibrium quantum impurity problems.[#Muehlbacher2008, #Gull2011, #Cohen2015]

The aim of the proposed workshop is to bring together the leading scientists representing low complexity and/or stochastic approaches for large scale electronic structure calculations. Unlike workshops on Quantum Monte Carlo methods focusing on the solution of the many-body Schrödinger equation, the proposed workshop targets stochastic approaches to high complexity single- or two-particle methods such as 1) for ground states: density functional and Hartree-Fock (DFT and HFT) theory, perturbative methods (Random Phase Approximation (RPA), Moller-Plesset Theory MPn, coupled cluster (CC) approaches), geminal electronic structure and 2) for excitations response and dynamics: many-body perturbation theory (GW, Bethe-Salpeter GF2, time-dependent DFT (TDDFT) etc.) and continuous time Monet Carlo.

The idea behind this workshop is to bring together experts developing a wide range of tools to solve the quantum many-body problem. The unifying theme is the stochastic nature of the algorithms underlying the approaches developed by the invited speakers. The workshop will include experts that rarely meet and discuss science. This unique environment will provide scientists additional tools to expand into novel directions by adopting approaches from other fields. All invited speakers are leaders in the field of the quantum many-body problem and have contributed to the development of methods and applications in one of the fields, i.e. density function theory and its time dependent version, perturbative electronic structure methods, many-body perturbation techniques, and many-body diagrammatic methods. The diverse background of speaker’s expertise in method development and applications is expected to lead to synergetic collaborations of researchers from different disciplines, all working on the quantum many-body problem.

Participants

Confirmed Invited Speakers (in alphabetic order)

George Booth (King's College London, UK)
Guy Cohen (Tel Aviv University, Israel)
Johannes M. Dieterich (Princeton University, USA) Presentation
Robert A. DiStasio (Cornell University, USA)
Giulia Galli (University of Chicago, USA)
Andreas Goerling (University of Erlangen-Nuremberg, Germany)
Eberhard K. U. Gross (Max Planck Institute of Microstructure Physics, Germany)
Emanuel Gull (University of Michigan, USA)
Oded Hod (Tel Aviv University, Israel)
Ronnie Kosloff (Hebrew University of Jerusalem, Israel)
Leeor Kronik (Weizmann Institute of Science, Israel)
Steven G. Louie (University of California, Berkeley, USA)
Daniel Neuhauser (University of California, Los Angeles, USA)
Eric Neuscamman  (University of California, Berkeley, USA)
Daniel Reich (University of Kassel, Germany)
Lucia Reining (Ecole Polytechnique, France)
Igor Schapiro (Hebrew University of Jerusalem, Israel)
Toru Shiozaki (Northwestern University, USA)
Sandro Sorella (International School for Advanced Studies, Italy)
Tyler Takeshita University of California, Berkeley, USA
Seiichiro Ten-no (Kobe University, Japan)
Alexander Thom (University of Cambridge, UK)
Michael Thoss (University of Erlangen-Nuremberg, Germany)
Vojtěch Vlček University of California, Los Angeles, USA
Philipp Werner (University of Fribourg, Switzerland)
Dominika Zgid (University of Michigan, USA)


Program

The program is available here.  

 

Speakers' Presentations


Registration

All participants (except invited speakers) are required to pay the registration fee.

Registration Fee
Students/Post-Docs 100 EUR
Faculty 200 EUR
Invited speakers
 No registration fees

 

Please register at: Registration
For payment

Students: pay here

Faculty: pay here

You can also contact us directly at cecam@tau.ac.il with any question.


Transportation

From the airport: Once you exit the terminal at Ben-Gurion airport, you will find a good (and relatively affordable) taxi service that can take you to your hotel. More information regarding this and other transportation routes to and from the airport (and a lot of other relevant information) can be found on the webpage of the Ministry of Tourism.

By car: Nearest exit to us from the Ayalon is Rokach Boulevard.

By bus: Lines 74, 86, 572, 274, 604, and 475 of the Egged bus company stop near the campus. Lines 7, 13, 24, 25, 27, 45, 49, and 112 of the Dan bus company have also nearby stops.

By train: The Tel Aviv University train station is within walking distance of the campus. Bus 112 can be also used to go back and forth between the train station and the campus. For additional information, see the Israel Railways website.


Accommodation

TEL-AVIV HOTELS

Tel-Aviv University (TAU) has signed agreements with several hotels in the Tel-Aviv area to provide attractive prices for TAU affiliates. As participants of a CECAM activity @ TAU you are entitled to book these hotels at a reduced price. Transportation will be provided every day between the hotels and the site of the Workshop and back.

Hotels available:

  • Shalom Hotel
    Rate per single room per night including breakfast: 700 nis
    Rate per double room per night including breakfast: 770 nis
    Supplement for room upgrade: 100 nis
  • Melody Hotel
    Rate per single room per night including breakfast: 650 nis
    Rate per double room per night including breakfast: 720 nis
    Supplement for room upgrade: 100 nis
  • Artplus  Hotel or Yam Hotel 
    Rate per single room per night including breakfast: 545 nis
    Rate per double room per night including breakfast: 605 nis

As a business client, you can enjoy the following:

  • Free WIFI throughout the hotel
  • Complimentary newspaper available (in English, Russian or Hebrew)
  • Happy Hour; complimentary beverages & snacks available every week day from 17:00h – 19:00h l.
  • Every guestroom comes equipped with coffee corner & mini-fridge
  • Free personal safe
  • In-room welcome refreshments
  • At the Artplus Hotel : Free dry sauna and gym.

For reservations - please fill and send the attached hotel registration form - hotel form- to Ms Ayelet Giat - ayelet@atlashotels.co.il


Venue

The workshop will be held at Beit Hatfutsot (the Museum of the Jewish People), inside the Tel Aviv University Campus. .

diaspora

 

An interactive map of TAU campus can be found at: http://www2.tau.ac.il/map/unimaple1.asp

 


Weather

You can check the exact forecast close to your arrival at: weather forecast.

 

Located in Lausanne, Switzerland, CECAM is a well established (since 1969) European organization devoted to the promotion of fundamental research on advanced computational methods and to their application to important problems in frontier areas of science and technology. CECAM's fields of interest include computational chemistry, materials science, physics, and biology.