Parallel Hybrid Simulations of Block Copolymer Nanocomposites using Coarray Fortran

À propos
Confidentialité
Mentions légales

Graph Chatbot

Publications associées (32)

Page 2 sur 2

MaxwellNet: Physics-driven deep neural network training based on Maxwell's equations

Demetri Psaltis, Joowon Lim

Maxwell's equations govern light propagation and its interaction with matter. Therefore, the solution of Maxwell's equations using computational electromagnetic simulations plays a critical role in understanding light-matter interaction and designing optic ...

AIP Publishing2022

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

Turbulence in the scrape-off layer of double-null tokamak configurations

Carrie Fiona Beadle

Understanding the turbulent dynamics in the outermost region of the tokamak is essential to predict and control the heat and particle loads to the vessel wall, a crucial problem for the entire fusion program. In this thesis, the problem is approached via t ...

EPFL2021

Atomistic modeling of the solid-liquid interface of metals and alloys

Edoardo Baldi

Solidification is a phase transformation of utmost importance in material science, for it largely controls materials' microstructure on which a wide range of mechanical properties depends. Almost every human artifact undergoes a transformation that leads t ...

EPFL2020

Reduced basis methods for numerical room acoustic simulations with parametrized boundaries

Jan Sickmann Hesthaven

The use of model-based numerical simulations of wave propagation in rooms for engineering applications requires that acoustic conditions for multiple parameters are evaluated iteratively, which is computationally expensive. We present a reduced basis metho ...

ACOUSTICAL SOC AMER AMER INST PHYSICS2022

Multi-physics modeling of VVERs with high fidelity high-resolution codes

Marianna Papadionysiou

The calculations performed for the design and operation of a Nuclear Power Plant (NPP) are a key factor for their safety analyses. The standard for the computational analysis of NPPs is the so called conventional approach, which relies on coarse mesh diffu ...

EPFL2022

AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance

Sebastiaan Philippe Huber, Nicolas Frank Mounet, Nicola Marzari, Fernando Gargiulo, Andrea Cepellotti, Giovanni Pizzi, Leonid Kahle, Aliaksandr Yakutovich, Martin Uhrin, Snehal Pramod Kumbhar, Spyros Zoupanos, Christoph Leopold Talirz, Elsa Passaro, Conrad Johnston, Casper Welzel Andersen, Carl Simon Adorf, Francisco Fernando Ramirez

The ever-growing availability of computing power and the sustained development of advanced computational methods have contributed much to recent scientific progress. These developments present new challenges driven by the sheer amount of calculations and d ...

2020

Computational Studies of the Proton-Coupled Metal Ion Transport in the SLC11/NRAMP Family of Transporters

Maria Letizia Merlini

In the last years, it has been demonstrated a link between the overload of metal ions inside nervous system cells and the onset of severe neurodegenerative diseases. This prompted the investigation of the structural and functional properties of transporter ...

EPFL2022

The Forward Physics Facility at the High-Luminosity LHC

Alexey Boyarsky, Enrico Bertuzzo, Lesya Shchutska, Francesco Cerutti, Wei Liu, Yi Zhang, Raffaele Tito D'Agnolo, Yiming Li

High energy collisions at the High-Luminosity Large Hadron Collider (LHC) produce a large number of particles along the beam collision axis, outside of the acceptance of existing LHC experiments. The proposed Forward Physics Facility (FPF), to be located s ...

2023

Materials Cloud, a platform for open computational science

Sebastiaan Philippe Huber, Valeria Granata, Nicola Marzari, Fernando Gargiulo, Giovanni Pizzi, Aliaksandr Yakutovich, Berend Smit, Martin Uhrin, Snehal Pramod Kumbhar, Spyros Zoupanos, Marco Borelli, Christoph Leopold Talirz, Elsa Passaro, Casper Welzel Andersen

Materials Cloud is a platform designed to enable open and seamless sharing of resources for computational science, driven by applications in materials modelling. It hosts (1) archival and dissemination services for raw and curated data, together with their ...

2020

The ONETEP linear-scaling density functional theory program

Edward Baxter Linscott

We present an overview of the onetep program for linear-scaling density functional theory (DFT) calculations with large basis set (plane-wave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spa ...

AMER INST PHYSICS2020

SAT-Sweeping Enhanced for Logic Synthesis

Giovanni De Micheli, Luca Gaetano Amarù, Eleonora Testa

SAT-sweeping is a powerful method for simplifying logic networks. It consists of merging gates that are proven equivalent (up to complementation) by running simulation and SAT solving in synergy. SAT-sweeping is used in both verification and synthesis appl ...

IEEE2020