AI-aided multiscale modeling of physiologically-significant blood clots
- Yicong Zhu
- Changnian Han
- et al.
- 2023
- Computer Physics Communications
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24 results at 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
A fine grained parallel smooth particle mesh Ewald algorithm for biophysical simulation studies: Application to the 6-D torus QCDOC supercomputer
- Bin Fang
- Glenn Martyna
- et al.
- 2007
- Computer Physics Communications