Introduction to the CONQUEST code for large scale DFT calculations: Theory and Applications
Conquest Summer
School 2025
1st to 5th of September 2025
University of Bordeaux - Talence campus
CONQUEST Summer School 2025
Thanks to its efficient parallel implementation and the local nature of the basis functions, the
Conquest code offers the possibility to perform density functional theory (DFT) calculations on
thousands of atoms provided a reasonnable access to computing ressources, as well as hundred
of thousands or a milion of atoms using the linear-scaling approach with massively parallel
computers. As a result, scientists interested in DFT computations for nanotechnology, non-
crystalline solids or biochemistry have now access to a wider range of systems with a larger
number of atoms. The aims of this school is to introduce the Conquest code to the condensed
matter community, for both, chemists and physicists, and support them in achieving their own
calculations. The main goal is twofold : (1) to provide some basics on DFT-based electronic
structure for solids with a special emphasis on the Conquest methodology and implementation,
and (2) to perform hands-on training using a supercomputer and familiarize with the code
environment.
The registration is free but mandatory. The number of participants is limited. The school will provide coffee breaks and lunches. Accommodation and additional meals are at the participant's expense.
Speakers
David R. Bowler
is Professor of Physics at UCL, and a PI in both the London Centre for Nanotechnology and the World Premier Research Institute for Materials Nanoarchitectonics (MANA) in the National Institute for Materials Science (NIMS), Japan. He obtained his Ph.D. degree from Oxford University in 1997. He has driven the development of the massively-parallel linear scaling density functional theory code, CONQUEST, and collaborates extensively with experimental groups on the growth and properties of nanostructures on semiconductor surfaces.
Tsuyoshi Miyazaki
He obtained a Ph.D. from University of Tokyo in 1995. He is now a group leader at the Research Center for Nanoarchitectonics (MANA), National Research Institute for Materials Science (NIMS). He has performed theoretical studies of various materials, such as organic conductors, semiconductor surfaces, nano-structured materials, biological system and so on. He is the co-leader of the CONQUEST project, a visiting Professor of School of Engineering at Nagoya University, and a Professor of School of Integrative and Global Majors at University of Tsukuba.
Ayako Nakata
is a Principal Researcher at NIMS,
and an adjunctive associate professor of cooperative graduate school at University of Tsukuba. She obtained her Ph.D. degree from Waseda university in 2007. She has been a member of the CONQUEST developer team and has mainly worked on the development and applications of the multi-site method. She has also interested in theoretical investigation of catalysts (especially metallic nanoparticles) and excited-state calculations.
Lionel Truflandier
is Maître de Conférences in Physical Chemistry, at Bordeaux the University, and is affiliated to the Institute of Molecular Sciences, since 2011. He obtained his Ph.D. degree from the Nantes University, and has been involved in the CONQUEST development during his last Post-Doctoral fellowship. He has conducted various research projects on NMR spectroscopy parameter calculations with experimental groups. He has also a strong interest in numerical methods applied to the electronic structure problem in quantum chemistry and condensed matter physics.
Schedule
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08:30 Registration
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09:00 Lecture 1
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10:30 coffee break
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10:50 Lecture 2
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12:20 lunch
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14:00 Lecture 3
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15:30 coffee break
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15:50 Lecture 4
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18:30 Apéritif
The Venue
ADDRESS
The Peixotto campus (the eastern part) is served by the Peixotto and Béthanie tram stops. It is home to part of the science and technology sector (building A).