The Conference is scheduled to be held in Skoltech campus, Moscow, Russia 03-04 March, 2025.
The conference will focus on the latest research and advancements in materials science, chemistry and related fields. The goal of the conference is to bring together researchers from all these fields to share their findings and foster collaboration. We want this conference to be a celebration of science.
For additional information and registration please visit the official website of conference.
22nd workshop on crystal structure prediction with USPEX code.
26-27 November, 2024. Online.
Crystal structure prediction recently emerged as a powerful approach to predict new materials. The ambitious goal to replace an Edisonian trial-and-error routine by the artificial intelligence has given rise to a number of approaches. Being also a powerful instrument for discovering new phenomena at extreme conditions, crystal structure prediction should thus be an everyday tool at the hands of nearly every computational materials scientist.
The evolutionary algorithm USPEX proved to be a very efficient and reliable method, and the USPEX code, based on it and freely distributed to academic scientists, is currently used by >10000 researchers worldwide and this number grows rapidly. We should note that in addition to the evolutionary structure prediction, USPEX code features many other techniques (random sampling, metadynamics, minima hopping, particle swarm optimization) and familiarity with this code will give solid background in many structure prediction techniques. This regular series of pedagogical events brings these topics to new generation of materials scientists.
This year our traditional workshop will be held in online format. The comprehensive lectures on the theoretical foundations of materials science and reports of the bleeding edge discoveries in our field will be followed by detailed tutorials from the developers of the USPEX code.
For additional information and details please visit: https://events.skoltech.ru/uspex2024.
The Symposium is scheduled to be held in Urumqi, Xinjiang (China) 14-17 August, 2023.
In order to improve the research level in the field of photo-electronic materials between China and Russia, promote the development of materials crystallography, materials science and new material industries, strengthen exchanges and cooperation between China and Russia, and build an exchange and cooperation platform for scientific research and industrial developers in this field, the 2023 China-Russia International Symposium on Crystallography of Materials (CRCM-2023) is scheduled to be held in Urumqi, Xinjiang from August 14 (Monday) to August 17 (Thursday), 2023. The meeting is hosted by Xinjiang Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, and Skolkovo Institute of Technology, Russia. Famous experts will be invited from Russia and China.
For additional information and registration please visit the official website of symposium.
21st USPEX workshop. November 17-21, 2022
Isfahan University of Technology (IUT), Isfahan, Iran
The activity is a joint workshop with the USPEX team and the physics department of Isfahan University of Technology (IUT). This workshop aims to provide computational methods for discovering new materials and, ab initio predicting material properties. This program contains scientific lecture sessions in the morning and workshop sessions in the afternoon. The dominant part of the time of the workshops is devoted to teaching the USPEX code by the USPEX team. USPEX code is one of the most successful packages in predicting new material structures with specific properties, which works based on evolutionary algorithms. The scientific lectures would cover the following subjects:
For additional information and registration please visit the official website.
Materials of the online course "Materials design and thermoelectric materials" that was held from the 3rd October to 8th November 2022.
20th workshop on crystal structure prediction with USPEX code. 17-19 November 2021
Skolkovo Insititute of Science and Technology, Moscow, Russia
Crystal structure prediction recently emerged as a powerful approach to predict new materials. The ambitious goal to replace an Edisonian trial-and-error routine by the artificial intelligence has given rise to a number of approaches. Being also a powerful instrument for discovering new phenomena at extreme conditions, crystal structure prediction should thus be an everyday tool at the hands of nearly every computational materials scientist.
The evolutionary algorithm USPEX proved to be a very efficient and reliable method, and the USPEX code, based on it and freely distributed to academic scientists, is currently used by >7600 researchers worldwide and this number grows rapidly. We should note that in addition to the evolutionary structure prediction, USPEX code features many other techniques (random sampling, metadynamics, minima hopping, particle swarm optimization) and familiarity with this code will give solid background in many structure prediction techniques. This regular series of pedagogical events brings these topics to new generation of materials scientists.
This year our traditional workshop will be held in online format. The comprehensive lectures on the theoretical foundations of materials science and reports of the bleeding edge discoveries in our field will be followed by detailed tutorials from the developers of the USPEX code.
For additional information and requests please address Alice Isaeva: a.isaeva@skoltech.ru
For more details: https://uspexschool2021.skoltech.ru/.
Supported by the Russian Scientific Foundation grant No. 19072-30043 “Computational materials design laboratory” Organized by Skoltech and GEOKHI (Institute of Geochemistry, Russian Academy of Sciences)
19th USPEX workshop on crystal structure prediction with USPEX code. 11-13 November 2020
Skolkovo Insititute of Science and Technology, Moscow, Russia
Crystal structure prediction has long remained a major unsolved problem in physical sciences. A number of approaches have been formulated over years. Crystal structure prediction is a powerful tool for designing new materials “in silico”, thus replacing the traditional Edisonian trial-and-error approach with design by artificial intelligence. It is also a major instrument for discovering new phenomena at extreme conditions. Crystal structure prediction should thus be an everyday tool at the hands of nearly every computational materials scientist.
A major advance in this field happened with the development of the evolutionary algorithm USPEX for crystal structure prediction, which has led to a number of important discoveries. This proved to be a very efficient and reliable method, and the USPEX code, based on it and freely distributed to academic scientists, is currently used by over 6000 researchers worldwide and this number grows rapidly. We should note that in addition to the evolutionary structure prediction, USPEX code features many other techniques (random sampling, metadynamics, minima hopping, particle swarm optimization) and familiarity with this code will give solid background in many structure prediction techniques. Through a regular series of such pedagogical events we want to train a new generation of materials scientists.
This year our traditional workshop will be held in online format. The comprehensive lectures on the theoretical foundations of materials science and reports of the bleeding edge discoveries in our field will be followed by detailed tutorials from the developers of the USPEX code.
Look at the website for more details: https://uspexschool2020.skoltech.ru.
17th USPEX workshop is part of ICAMM Conference – International Conference on Advanced Materials Modelling, July 1-3, 2019, and VASP training school, June 26-29, 2019
Rennes, France
Crystal structure prediction has long remained a major unsolved problem in physical sciences. A number of approaches have been formulated over years. Crystal structure prediction is a powerful tool for designing new materials "in silico", thus replacing the traditional Edisonian trial-and-error approach with design by artificial intelligence. It is also a major instrument for discovering new phenomena at extreme conditions. Crystal structure prediction should thus be an everyday tool at the hands of nearly every computational materials scientist.
A major advance in this field happened with the development of the evolutionary algorithm USPEX for crystal structure prediction, which has led to a number of important discoveries. This proved to be a very efficient and reliable method, and the USPEX code, based on it and freely distributed to academic scientists, is currently used by over 4200 researchers worldwide and this number grows rapidly. We should note that in addition to the evolutionary structure prediction, USPEX code features many other techniques (random sampling, metadynamics, minima hopping, particle swarm optimization) and familiarity with this code will give solid background in many structure prediction techniques. Through a regular series of such pedagogical events we want to train a new generation of materials scientists.
We have planned a 2-half-day workshop to practice USPEX. The workshop will introduce the participants to the major concepts of this field, and will focus deeply on USPEX code and the related tools. The participants will have an opportunity to perform their own simulations, analyze the results and discuss them with their peers.
Researchers with a proven experience in standard DFT and/or ab initio computations may participate in this tutorial. If you do not have any experience in DFT calculations, let have the opportunity to learn a periodic DFT code, during VASP training School, June 26 -29, at the same place (Rennes, france). Register now!
The participants will have detailed tutorials on structure prediction for crystals, surfaces and nanoparticles and the USPEX code
and how to analyze the rich data provided by this method using specifically developed advanced tools (ie GDIS software).
Program is coming soon, but one may have a look at previous USPEX workshops.
These tutorials will allow the students and researchers to tackle a range of problems from nano science, polymers
and urface science, geosciences, crystallography, and materials sciences. There will be a plenty of time for discussions
(20 minutes at the end of each talk, and informal discussions throughout the meeting).
Note that a contributed poster session at ICAMM and short scientific presentations will be organized, with ample space devoted to discussion.
Look at the website for more details: https://sites.google.com/view/dnnsm2019/welcome.
14-18 January 2019
Trieste, Italy
Thanks to enormous progresses in computational power and in algorithm development, we are now closer to the possibility to predict the structure of a material from the simple knowledge of its composition. This Worshop will be dedicated to presenting and discussing the algorithms for in-silico crystal structure prediction that were developed in the last years, focusing in particular on the approaches based on molecular modeling. We find particularly appropriate holding this conference in 2019, the International Year of the Periodic Table, since crystal structure prediction is rooted in a deep knowledge of the properties of the atoms. The Workshop will be divided into two parts: the first three days will be dedicated to an advanced discussion of the latest developments in the field, and the last two days will be dedicated to handson tutorials with structure prediction methods in combination with electronic structure and atomistic methods. A Poster Session will also be organized during the Workshop.
The workshop program.
15th workshop on crystal structure prediction with USPEX code. 17-19 September 2018
Skolkovo Insititute of Science and Technology, Moscow, Russia
Crystal structure prediction has long remained a major unsolved problem in physical sciences. A number of approaches have been formulated over years. Crystal structure prediction is a powerful tool for designing new materials "in silico", thus replacing the traditional Edisonian trial-and-error approach with design by artificial intelligence. It is also a major instrument for discovering new phenomena at extreme conditions. Crystal structure prediction should thus be an everyday tool at the hands of nearly every computational materials scientist.
A major advance in this field happened with the development of the evolutionary algorithm USPEX for crystal structure prediction, which has led to a number of important discoveries. This proved to be a very efficient and reliable method, and the USPEX code, based on it and freely distributed to academic scientists, is currently used by over 4200 researchers worldwide and this number grows rapidly. We should note that in addition to the evolutionary structure prediction, USPEX code features many other techniques (random sampling, metadynamics, minima hopping, particle swarm optimization) and familiarity with this code will give solid background in many structure prediction techniques. Through a regular series of such pedagogical events we want to train a new generation of materials scientists.
The workshop will be held at Skoltech, a new top-level international university located in Moscow. This will give you an opportunity to discover Moscow, one of the most breathtaking cities in the world, with incredible cultural heritage. For a glimpse of Moscow, see: Moscow aerial view.
WORKSHOP PRESENTATIONS AND GROUP PHOTO ARE AVAILABLE
Please, download the group photo and workshop presentations.
24-26 June 2018
Nankai University, Tianjin, China
The workshop is organized under auspices of Academia Europaea. To participate in the workshop, please send your CV to: This email address is being protected from spambots. You need JavaScript enabled to view it. (registration deadline is 25 May 2018).
The workshop website is available at workshop website.
16-20 June 2017
HPSTAR, Pudong Shanghai, China
The joint ToposPro & 13th USPEX Workshops (13th Lyakhov school on Computational Materials Science) has been held in HPSTAR, Pudong Shanghai, China during 16-20 June 2017.
Dear friends, it was a great pleasure to host you in Pudong Shanghai, China!
For workshop program, practical details and registration, see you can visit the workshop website.
11-13 January 2017
University of Poitiers, France
The 12th USPEX Workshop (12th Lyakhov school on Computational Materials Science) was held in University of Poitiers, France during January 11-13, 2017. Workshop was organized by prof. Gilles Frapper.
Dear friends, it was a great pleasure to host you in Poitiers, France!
For workshop program and other details you can visit the workshop website.
June 5-9, 2016
Enrico Fermi Conference Center, Villa Monastero, Varenna, Italy
Dear Colleagues and Friends,
International Symposium on Material Design & the 11th USPEX Workshop (11th Lyakhov school on Computational Materials Science) has been hold in Villa Monastero, Varenna, Lake Como, Italy during June 5-9, 2016. Workshop was organized by Institute of Molecular Science and Technologies, National Research Council, Italy.
It was a great pleasure for us to host you in Italy!
Organizing Committee of USPEX workshop 2016
We are glad to present the conference booklet for you (pdf)
August 20-23, 2015
Beijing Computational Science Research Center, China
International Symposium on Material Design & the 10th USPEX Workshop (10th Lyakhov school on Computational Materials Science) will be held in Beijing during August 20-23, 2015, which is co-organized by Northwestern Polytechnical University and Beijing Computational Science Research Center. We have great pleasure to invite you to attend this workshop and enjoy the academic tour in Beijing.
We are looking forward to hosting you in Beijing, China!
For more information about this workshop you can see the workshop website.
Registeration closed.
For more information about this workshop click here.
See the full Workshop schedule
June 25-30, 2015
Poitiers University, France
The 9th hands-on workshop (9th Lyakhov school on Computational Materials Science) on Crystal Structure Prediction and Materials Discovery with the USPEX code will take place in Poitiers University (France) on June 25-30, 2015 and organized by Prof. Gilles Frapper. Morning sessions will consist of lectures by developers and advanced users of USPEX and some key figures in this field, whereas afternoons will be dedicated to hands-on exercises. Participants will have an opportunity to solve problems related to their research and to present their work. The workshop will include an excursion to the Loire river (wine tasting, Fontevraud abbey, castles...) and to others historical places in and around Poitiers. For Midsummer day, The "Fete de la Musique" in Poitiers will celebrate the beginning of the workshop. For program and registration details, please see the workshop website.
January 20-24, 2015
The Department of Physics
School of Natural Sciences
Shiv Nadar University, India
The 8th USPEX workshop (8th Lyakhov school on Computational Materials Science). The program will consist of theory lectures, hands-on tutorial sessions, and round table discussions. Morning theory lectures will focus on the nature of the crystal structure prediction problems, various ways to address them, theory of energy landscapes, applications of crystal structure prediction, problems related to low-dimensional systems (clusters, surfaces).
Registeration closed.
August 5, 2014
the International Crystallographic Congress
Montréal, Canada
7th USPEX workshop (7th Lyakhov school on Computational Materials Science). This workshop aims at demonstrating the capabilities of and the different types of crystal structure prediction possible with the USPEX code, the most widely used tool in the field of crystal structure prediction. After reviewing the basic capabilities, we will have time to solve 1-2 problems brought in by the participants. Bring your own laptop!
Registeration closed.
January, 11-12, 2014
Northwestern Polytechnical University
Xi’an, China
6th USPEX workshop (6th Lyakhov school on Computational Materials Science). On January 11-12, 2014, we will hold a training event at Northwestern Polytechnical University (NWPU, Xi’an, China). This will be held at the base of the USPEX Training Center of NWPU. Participants from all countries are welcome.
The total number of participants is limited to about 20, so please register early. Registration will close on 15 December 2013. To participate in the training, please email This email address is being protected from spambots. You need JavaScript enabled to view it., attaching your CV and publication list.
There is no registration fee, participants only cover their own hotel and living costs. 10 most qualified applicants will receive a grant to cover their housing and meals during the workshop, and can stay for free for a period of up to one week to learn USPEX deeper.
This training event will consist of mostly hands-on training. Participants are welcome to bring their own computational problems, which will be addressed during this training event.
August 3-8, 2013
Guilin University of Electronic Technology
Guilin, China
December 10-15, 2012
Stony Brook University
Stony Brook, USA
Registeration closed.
October 22-26, 2012
CECAM-HQ-EPFL
Lausanne, Switzerland
Crystal structure prediction using the USPEX code.
Registeration closed.
August 2-6, 2011
Xi'an, China
Computational Discovery of New Materials and Mineral Phases: evolutionary structure prediction using the USPEX code.
Registeration closed.
Discovery of novel nanoparticles, surfaces and bulk materials: evolutionary structure prediction using the USPEX code
June 26 - July 1, 2011
Poitiers, France
Registration closed.
