Publications

25 results at Computer Physics Communications

Learning coarse-grained force fields for fibrogenesis modeling
- - Ziji Zhang
  - Georgios Kementzidis
  - et al.
- 2024
- Computer Physics Communications
AI-aided multiscale modeling of physiologically-significant blood clots
- - Yicong Zhu
  - Changnian Han
  - et al.
- 2023
- Computer Physics Communications
Simulation of large molecular systems with electronically-derived forces
- - Jony Castangna
  - Fausto Martelli
  - et al.
- 2021
- Computer Physics Communications
AllScale toolchain pilot applications: PDE based solvers using a parallel development environment
- - Fearghal O'Donncha
  - Roman Iakymchuk
  - et al.
- 2020
- Computer Physics Communications
DCA++: A software framework to solve correlated electron problems with modern quantum cluster methods
- - Urs R. Hähner
  - Gonzalo Alvarez
  - et al.
- 2020
- Computer Physics Communications
Scalable GW software for quasiparticle properties using OpenAtom
- - Minjung Kim
  - Subhasish Mandal
  - et al.
- 2019
- Computer Physics Communications
Numerical implementation of the multiscale and averaging methods for quasi periodic systems
- - Tal Kachman
  - Shmuel Fishman
  - et al.
- 2017
- Computer Physics Communications
MSTor: 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
Very large scale wavefunction orthogonalization in Density Functional Theory electronic structure calculations
- - C. Bekas
  - Alessandro Curioni
- 2010
- Computer Physics Communications
Parallel software for retrieval of aerosol distribution from LIDAR data in the framework of EARLINET-ASOS
- - Lukas Osterloh
  - Carlos Pérez
  - et al.
- 2009
- Computer Physics Communications