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Presentation by Pierre Monmarché

Presentation by Pierre Monmarché

On July 3rd, 2020, at 3:30 pm Velocity jumps: an alternative to multi-time step integrators. Abstract:  Simulating motion of nuclei (following e.g. the Langevin dynamics) requires to compute forces at each time-step, which is numerically demanding. The goal of a...

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Presentation by Michael F. Herbst

Presentation by Michael F. Herbst

On June 26, 2020, at 3:30 pm Insight-driven design of novel SCF preconditioning strategies for mixed systems: A DFTK case-study. Abstract: Progress in density-functional theory is often the outcome of efforts involving physically sound approximate models,...

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Michael Herbst, Programming Language Julia day.

Michael Herbst, Programming Language Julia day.

Julia day at Jussieu After some requests from people at Jussieu and CERMICS, there will be a day about the programming language Julia day at Jussieu on 13th December 2019. For details see Time and location. I'll also post the teaching material right here. Everybody's...

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Conference Horizon Maths 2019 “Mathématiques & Chimie”

Conference Horizon Maths 2019 “Mathématiques & Chimie”

Mathématiques et Chimie L'édition 2019 d'Horizon Maths a eu lieu le mardi 3 décembre 2019 de 9h à 17h dans l'amphithéâtre Charpak de Sorbonne Université (4, place Jussieu, Paris 5e). Horizon Maths 2019 avait pour thème Mathématiques et Chimie, abordé sous la forme de...

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Kick-off meeting EMC2

Kick-off meeting EMC2

The project EMC2 Monday to Wednesday 07-09/10/2019  Molecular simulation is one of the most dynamic areas of scientific computing. Its field of application is very broad, ranging from theoretical chemistry and drug design to materials science and nanotechnology....

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