PyFR v2.0.3: Towards industrial adoption of scale-resolving simulations
- Freddie D. Witherden
- Peter E. Vincent
- et al.
- 2025
- Computer Physics Communications
Paper
Publications
26 results at Computer Physics Communications
Learning coarse-grained force fields for fibrogenesis modeling
- Ziji Zhang
- Georgios Kementzidis
- et al.
- 2024
- Computer Physics Communications
PaperAI-aided multiscale modeling of physiologically-significant blood clots
- Yicong Zhu
- Changnian Han
- et al.
- 2023
- Computer Physics Communications
PaperSimulation of large molecular systems with electronically-derived forces
- Jony Castangna
- Fausto Martelli
- et al.
- 2021
- Computer Physics Communications
PaperAllScale toolchain pilot applications: PDE based solvers using a parallel development environment
- Fearghal O'Donncha
- Roman Iakymchuk
- et al.
- 2020
- Computer Physics Communications
PaperDCA++: A software framework to solve correlated electron problems with modern quantum cluster methods
- Urs R. Hähner
- Gonzalo Alvarez
- et al.
- 2020
- Computer Physics Communications
PaperScalable GW software for quasiparticle properties using OpenAtom
- Minjung Kim
- Subhasish Mandal
- et al.
- 2019
- Computer Physics Communications
PaperNumerical implementation of the multiscale and averaging methods for quasi periodic systems
- Tal Kachman
- Shmuel Fishman
- et al.
- 2017
- Computer Physics Communications
PaperMSTor: A program for calculating partition functions, free energies, enthalpies, entropies, and heat capacities of complex molecules including torsional anharmonicity
- Jingjing Zheng
- Steven L. Mielke
- et al.
- 2012
- Computer Physics Communications
PaperVery large scale wavefunction orthogonalization in Density Functional Theory electronic structure calculations
- C. Bekas
- Alessandro Curioni
- 2010
- Computer Physics Communications
Paper