Workshops and Schools

QMC Hands-on Summer Workshop

Quantum Monte Carlo workshop
20 - 23 Jun - Jun

QMC Hands-on Summer Workshop

#QMCworkshop

20-23 June 2022

Thank you for joining the QMC Hands-on Summer Workshop, organised by the TREX project, Slovak Academy of Sciences (SAS), Institute of Physics SAS (IPSAS), and National Competence Centre for High Performance Computing (NCC for HPC). The QMC Hands-on Summer Workshop was held in Mojmírovce, Slovakia and online from 20-23 June 2022.

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Background

Quantum Monte Carlo (QMC) methods are among the most accurate, albeit also the most numerically demanding stochastic ab initio electronic structure numerical methods. QMC methods are among the few electronic structure methods capable of taking full advantage of pre-exa and exascale computing, massively parallel and heterogeneous (CPUs & GPUs) computer architectures. Yet, both the number of efficient QMC codes as well as the size of the QMC community are still limited. Hence, it is of paramount importance to disseminate the QMC expertise among the Ph.D. students and young researchers, which is the QMC Hands-on Summer Workshop mission.

QMC Hands-on Summer Workshop, organised in presence, will provide a complete overview of and hands-on experience with the QMC methods and their application to both molecular (Quantum Package and CHAMP codes) and extended systems (TurboRVB). The codes implement the Variational and Diffusion QMC algorithms. The tutorials and training activities will be managed by world-leading experts in the respective fields of QMC who all are part of the TREX European Centre of Excellence in Exascale Computing.

What are the main goals of this workshop?

  • Provide participants a general overview of QMC foundations and their adaptation to simulations of molecular and periodic systems;
  • Provide an overview of the hot current topics in molecular, crystalline, and low-dimensional systems;
  • Provide hands-on experience with practical QMC simulations based on CHAMP and TurboRVB simulation codes.

Who should attend and why?

The summer workshop is open to all, but the following are highly encouraged to attend, particularly those Ph.D. students and/or post-doctor.

  • Opportunity to contact the European leaders in QMC simulations.
  • Understand how the QMC methods can help to solve the current hot topics in chemistry/physics/nanotechnology;
  • Initial hands-on experience with some of the best QMC codes of European provenience;
  • Additional benefit: free lodging and boarding thanks to TREX financial support.

Poster submission

Participants are invited to submit their poster contributions and present results and ongoing activities at the TREX summer workshop.

The best poster winner will get the opportunity to be financed as a visiting student for one week at the Institute of Physics SAS in Slovakia, with food and accommodation provided by the TREX project. This is a great opportunity to learn more from the HPC experts and explore Mojmírovce at the same time.

All submitted posters will be published on the TREX website. Selected attendees who have submitted a poster will need to bring the poster which will be displayed and presented at the event venue.


Important Dates:

  • Registration is open until 13 May 2022, 17:00 CEST.  Extended deadline 26 May 2022, 17:00 CEST
  • Selected participants will be announced on 30 May 2022.
  • Deadline for Poster Submission 13 May 2022, 17:00 CEST.  Extended deadline 19 June 2022, 17:00 CEST

Speakers

Andrea Tirelli

Andrea Tirelli

SISSA

Andrea Tirelli received his Ph.D. in Mathematics at Imperial College London.

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Anthony Scemama

Anthony Scemama

CNRS

Anthony Scemama (PhD 2004, HDR 2017) is a CNRS research engineer (ingénieur de recherche), expert in HPC at the Toulouse University.

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Claudia Filippi

Claudia Filippi

Universiteit Twente

Claudia Filippi is full professor and head of the Computational Chemical Physics group within the Faculty of Science and Technology at the UT.

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Ivan Stich

Ivan Stich

Institute of Physics of the Slovak Academy of Sciences

Ivan Stich got his Ph.D. in solid-state physics in 1989 at the International School of Advanced Studies (SISSA) in Trieste.

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Jan Brndiar

Jan Brndiar

Institute of Physics of the Slovak Academy of Sciences

Jan Brndiar is a scientific researcher at the Institute of Physics SAS, Department of Complex Physical Systems.

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Kosuke Nakano

Kosuke Nakano

SISSA

Kosuke Nakano received his B.Sc. from Kyoto University in 2012, M.Sc. from Kyoto University in 2014, and Ph.D. from JAIST in 2017.

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Michele Casula

Michele Casula

CNRS

Michele Casula graduated in 2005 at the International School of Advanced Studies (SISSA) in Trieste.

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Sandro Sorella

Sandro Sorella

SISSA

Sandro Sorella got his Ph.D.

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