Publications associées (104)

GEAR-RT: Towards Exa-Scale Moment Based Radiative Transfer For Cosmological Simulations Using Task-Based Parallelism And Dynamic Sub-Cycling with SWIFT

Mladen Ivkovic

Numerical simulations have become an indispensable tool in astrophysics and cosmology. The constant need for higher accuracy, higher resolutions, and models ofever-increasing sophistication and complexity drives the development of modern toolswhich target ...
EPFL2023

Generalizing Bulk-Synchronous Parallel Processing for Data Science: From Data to Threads and Agent-Based Simulations

Christoph Koch, Peter Lindner, Zilu Tian, Val Tannen

We generalize the bulk-synchronous parallel (BSP) processing model to make it better support agent-based simulations. Such simulations frequently exhibit hierarchical structure in their communication patterns which can be exploited to improve performance. ...
2023

Statistical Emulation of Neural Simulators: Application to Neocortical L2/3 Large Basket Cells

Werner Alfons Hilda Van Geit, Oren Amsalem, Idan Segev

Many scientific systems are studied using computer codes that simulate the phenomena of interest. Computer simulation enables scientists to study a broad range of possible conditions, generating large quantities of data at a faster rate than the laboratory ...
FRONTIERS MEDIA SA2022

High-order geometric integrators for nonadiabatic molecular quantum dynamics and their applications to explore conical intersections

Seonghoon Choi

Accurate simulations of molecular quantum dynamics are crucial for understanding numerous natural processes and experimental results. Yet, such high-accuracy simulations are challenging even for relatively simple systems where the Born-Oppenheimer approxim ...
EPFL2022

The DESI N-body Simulation Project - II. Suppressing sample variance with fast simulations

Andrei Variu, Cheng Zhao, Yu Yu, Hanyu Zhang

Dark Energy Spectroscopic Instrument (DESI) will construct a large and precise three-dimensional map of our Universe. The survey effective volume reaches similar to 20 h(-3) Gpc(3). It is a great challenge to prepare high-resolution simulations with a much ...
OXFORD UNIV PRESS2022

Efficient geometric integrators for the linear and nonlinear time-dependent Schrödinger equation

Julien Roulet

Many physical and chemical reactions are driven by nonadiabatic processes, which imply the breakdown of the celebrated Born-Oppenheimer approximation. To understand these processes, experimentalists employ spectroscopic techniques. However, the obtained re ...
EPFL2022

Uncertainty estimation for molecular dynamics and sampling

Michele Ceriotti, Federico Grasselli, Yongbin Zhuang, Venkat Kapil, Kevin Rossi, Edgar Albert Engel, Giulio Imbalzano

Machine-learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale, and complexity. Given the interpolative nature of these models, the r ...
2021

Deep Reinforcement Learning for room temperature control: a black-box pipeline from data to policies

Colin Neil Jones, Bratislav Svetozarevic, Loris Di Natale

Deep Reinforcement Learning (DRL) recently emerged as a possibility to control complex systems without the need to model them. However, since weeks long experiments are needed to assess the performance of a building controller, people still have to rely on ...
2021

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