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Computer Physics Communications, Volume 295
Volume 295, 2024
- Pablo Antonio Martínez, Theresa Vock, Liliane Racha Kharchi, Jesús N. Pedroza-Montero, Xiaojing Wu, Karim Hasnaoui, Aurélien de la Lande
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A multi-GPU implementation of Real-Time Time-Dependent Auxiliary Density Functional Theory for the investigation of nanosystems irradiations. 108946 - Phuong Mai Dinh
The real-time TDDFT code "Quantum Dissipative Dynamics" on a GPU. 108947 - Giovanni Marini
epiq: An open-source software for the calculation of electron-phonon interaction related properties. 108950 - Gudrun Heinrich
Numerical scattering amplitudes with pySecDec. 108956 - Hugo Iteney, Javier Antonio González Joa, Christophe Le Bourlot, Thomas W. Cornelius, Olivier Thomas, Jonathan Amodeo
Pyrough: A tool to build 3D samples with rough surfaces for atomistic and finite-element simulations. 108958 - M. Poberznik, Miha Gunde
pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm. 108961 - Ziji Zhang, Georgios Kementzidis, Peng Zhang, Leili Zhang, James R. Kozloski, Adam Hansen, Miriam Rafailovich, Marcia Simon, Yuefan Deng:
Learning coarse-grained force fields for fibrogenesis modeling. 108964 - Tommaso Tedeschi, Vincenzo Eduardo Padulano
Prototyping a ROOT-based distributed analysis workflow for HL-LHC: The CMS use case. 108965 - Nicolas Aunai
PHARE: Parallel hybrid particle-in-cell code with patch-based adaptive mesh refinement. 108966 - Nguyen Tuan Hung
QERaman: An open-source program for calculating resonance Raman spectra based on Quantum ESPRESSO. 108967 - Musaddiq Al Ali
Exploring the influence of initial design domain dependencies in concurrent multiscale topology optimization for heat conductivity maximization. 108968 - Jiale Linghu, Hao Dong, Weifeng Gao, Yufeng Nie:
Self-optimization wavelet-learning method for predicting nonlinear thermal conductivity of highly heterogeneous materials with randomly hierarchical configurations. 108969 - Jiahao Liu
A massive MPI parallel framework of smoothed particle hydrodynamics with optimized memory management for extreme mechanics problems. 108970 - Katsumi Hagita
Two-dimensional pattern reverse Monte Carlo analysis of nanoparticles in polymer matrices using a combination of OpenACC and cuFFT. 108971 - Leander Reascos, Fábio Carneiro, André Pereira
Berry: A code for the differentiation of Bloch wavefunctions from DFT calculations. 108972 - Nils Schild
A performance portable implementation of the semi-Lagrangian algorithm in six dimensions. 108973 - Wenjing Jiang, Ziling Lu, Jian Wang:
Uniform patterns formation based on Gray-Scott model for 3D printing. 108974 - Usman Riaz
Modeling and meshing for tokamak edge plasma simulations. 108982 - Alberto Castro
qocttools: A program for quantum optimal control calculations. 108983 - Junxiang Yang:
Unconditionally energy-stable linear convex splitting algorithm for the L2 quasicrystals. 108984 - Jingang Liang
Virtual lattice method for efficient Monte Carlo transport simulation of dispersion nuclear fuels. 108985 - Kristjan Haule, Subhasish Mandal
All electron GW with linearized augmented plane waves for metals and semiconductors. 108986 - Hai Lin
QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations. 108987 - Akihiro Koide, Sara Rabouli, Pierre Le Meur, Sylvain Tricot, Philippe Schieffer, Didier Sébilleau, Calogero Natoli
MASAP: A package for atomic scattering amplitude in solids. 108988 - Takanori Akamatsu, Mitsuharu Uemoto, Yoshiyuki Egami, Tomoya Ono:
GPU acceleration of conjugate gradient method obtaining Green's function for transport-property calculation. 108989 - Ali Bagci
A Bi-directional method for evaluating integrals involving higher transcendental functions. HyperRAF: A Julia package for new hyper-radial functions. 108990 - Kalman Szenes
Domain-specific implementation of high-order Discontinuous Galerkin methods in spherical geometry. 108993 - Qiyang Xiong
GPIC: A set of high-efficiency CUDA Fortran code using gpu for particle-in-cell simulation in space physics. 108994 - Andrzej Wojenski
Hardware acceleration of complex HEP algorithms with HLS and FPGAs: Methodology and preliminary implementation. 108997 - Siegfried Kaidisch
Pole-fitting for complex functions: Enhancing standard techniques by artificial-neural-network classifiers and regressors. 108998 - Zihao Wu
NeatIBP 1.0, a package generating small-size integration-by-parts relations for Feynman integrals. 108999 - A. Amoroso, R. Baldini Ferroli, I. Balossino, Monica Bertani, D. Bettoni, F. Bianchi, A. Bortone, A. Calcaterra, S. Cerioni, W. Cheng, G. Cibinetto, Adriano Cotta Ramusino, G. Cotto, F. Cossio, M. Da Rocha Rolo, F. De Mori, M. Destefanis, J. Dong, F. Evangelisti, R. Farinelli, L. Fava, G. Felici, I. Garzia, M. Gatta, G. Giraudo, S. Gramigna, M. Greco
PARSIFAL: A toolkit for triple-GEM parametrized simulation. 109000 - Alejandro José Uría-Álvarez
Efficient computation of optical excitations in two-dimensional materials with the Xatu code. 109001 - Christian Tantardini, Miroslav Ilias
Generating and grading 34 optimised norm-conserving Vanderbilt pseudopotentials for actinides and super-heavy elements in the PseudoDojo. 109002 - Zhenglu Li
Electron-phonon coupling from GW perturbation theory: Practical workflow combining BerkeleyGW, ABINIT, and EPW. 109003 - Zi-Yi Pan, Ni Yang, Ming Tang, Peixun Shen, Xiao-Xiao Cai:
Prompt: Probability-conserved cross section biasing Monte Carlo particle transport system. 109004 - Andrzej Daniluk
First-principles calculations of specular reflection of high-energy electrons during the two-dimensional crystal growth. 109005 - Rayan Dhib
Development of an implicit high-order Flux Reconstruction solver for high-speed flows on simplex elements. 109006 - Sergio Blanes, Fernando Casas, Cesáreo González, Mechthild Thalhammer:
Generalisation of splitting methods based on modified potentials to nonlinear evolution equations of parabolic and Schrödinger type. 109007 - N. A. Nazarov
High level GPU-accelerated 2D PIV framework in Python. 109009 - Pu Ren, Chengping Rao, Su Chen, Jian-Xun Wang
SeismicNet: Physics-informed neural networks for seismic wave modeling in semi-infinite domain. 109010 - Pengliang Yang
SMIwiz: An integrated toolbox for multidimensional seismic modelling and imaging. 109011 - Chunze Cen
A single-phase GPU-accelerated surface tension model using SPH. 109012 - Ralf Kleiber
EUTERPE: A global gyrokinetic code for stellarator geometry. 109013 - Dongming Li
A method of calculating bandstructure in real-space with application to all-electron and full potential. 109014 - E. A. Berendeev, I. V. Timofeev
Energy and charge conserving semi-implicit particle-in-cell model for simulations of high-pressure plasmas in magnetic traps. 109020
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