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ORCIDComputer 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, Jordan Heraud, Alejandro Estaña, Marc Vincendon, Paul-Gerhard Reinhard, Eric Suraud:
The real-time TDDFT code "Quantum Dissipative Dynamics" on a GPU. 108947 - Giovanni Marini, Guglielmo Marchese, Gianni Profeta, Jelena Sjakste, Francesco Macheda, Nathalie Vast, Francesco Mauri, Matteo Calandra:
epiq: An open-source software for the calculation of electron-phonon interaction related properties. 108950 - Gudrun Heinrich, Stephen P. Jones, Matthias Kerner, Vitaly Magerya, A. Olsson, Johannes Schlenk:
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, M. Gunde, Nicolas Salles, A. Jay, A. Hemeryck, N. Richard, N. Mousseau, Layla Martin-Samos:
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, Daniele Spiga, Diego Ciangottini, Mirco Tracolli, Enric Tejedor Saavedra, Enrico Guiraud, Massimo Biasotto:
Prototyping a ROOT-based distributed analysis workflow for HL-LHC: The CMS use case. 108965 - Nicolas Aunai, Roch Smets, Andrea Ciardi, Philip Deegan, Alexis Jeandet, Thibault Payet, Nathan Guyot, Loic Darrieumerlou:
PHARE: Parallel hybrid particle-in-cell code with patch-based adaptive mesh refinement. 108966 - Nguyen Tuan Hung, Jianqi Huang, Yuki Tatsumi, Teng Yang, Riichiro Saito:
QERaman: An open-source program for calculating resonance Raman spectra based on Quantum ESPRESSO. 108967 - Musaddiq Al Ali, Masatoshi Shimoda:
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, Xiufeng Yang, Zhilang Zhang, Moubin Liu:
A massive MPI parallel framework of smoothed particle hydrodynamics with optimized memory management for extreme mechanics problems. 108970 - Katsumi Hagita, Tetsuo Tominaga:
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, Nuno Filipe Castro, Ricardo Mendes Ribeiro:
Berry: A code for the differentiation of Bloch wavefunctions from DFT calculations. 108972 - Nils Schild, Mario Raeth, Sebastian Eibl, Klaus Hallatschek, Katharina Kormann:
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, E. Seegyoung Seol, Robert Hager, Mark S. Shephard:
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, Ruihan Li, Zhaoyuan Liu:
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, Yan Zhang, Soroosh Pezeshki, Adam W. Duster, Bo Wang, Xin-Ping Wu, Shi-Wen Zheng, Laura Gagliardi, Donald G. Truhlar:
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, Gustavo A. Aucar:
A Bi-directional method for evaluating integrals involving higher transcendental functions. HyperRAF: A Julia package for new hyper-radial functions. 108990 - Kalman Szenes, Niccolò Discacciati, Luca Bonaventura, William Sawyer:
Domain-specific implementation of high-order Discontinuous Galerkin methods in spherical geometry. 108993 - Qiyang Xiong, Shiyong Huang, Zhigang Yuan, Bharatkumar Sharma, Lvlin Kuang, Kui Jiang, Lin Yu:
GPIC: A set of high-efficiency CUDA Fortran code using gpu for particle-in-cell simulation in space physics. 108994 - Andrzej Wojenski, H. Zbroszczyk, M. Kruszewski, P. Szymanski, E. Wawrzyn, D. Wielanek, W. Zabolotny, D. Pawlowska, T. Gniazdowski:
Hardware acceleration of complex HEP algorithms with HLS and FPGAs: Methodology and preliminary implementation. 108997 - Siegfried Kaidisch, Thomas U. Hilger, Andreas Krassnigg, Wolfgang Lucha:
Pole-fitting for complex functions: Enhancing standard techniques by artificial-neural-network classifiers and regressors. 108998 - Zihao Wu, Janko Böhm, Rourou Ma, Hefeng Xu, Yang Zhang:
NeatIBP 1.0, a package generating small-size integration-by-parts relations for Feynman integrals. 108999 - A. Amoroso, R. Baldini Ferroli, I. Balossino, M. 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, Lia Lavezzi, M. Maggiora, R. Malaguti, A. Mangoni, S. Marcello, M. Melchiorri, G. Mezzadri, Elisabetta Pace, S. Pacetti, P. Patteri, J. Pellegrino, A. Rivetti, M. Scodeggio, S. Sosio, S. Spataro:
PARSIFAL: A toolkit for triple-GEM parametrized simulation. 109000 - Alejandro José Uría-Álvarez, Juan José Esteve-Paredes, M. A. García-Blázquez, Juan José Palacios:
Efficient computation of optical excitations in two-dimensional materials with the Xatu code. 109001 - Christian Tantardini, Miroslav Ilias, Matteo Giantomassi, Alexander G. Kvashnin, Valeria Pershina, Xavier Gonze:
Generating and grading 34 optimised norm-conserving Vanderbilt pseudopotentials for actinides and super-heavy elements in the PseudoDojo. 109002 - Zhenglu Li, Gabriel Antonius, Yang-Hao Chan, Steven G. Louie:
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, Firas Ben Ameur, Ray Vandenhoeck, Andrea Lani, Stefaan Poedts:
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, V. V. Terekhov:
High level GPU-accelerated 2D PIV framework in Python. 109009 - Pu Ren, Chengping Rao, Su Chen, Jian-Xun Wang, Hao Sun, Yang Liu:
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, Georgios Fourtakas, Steven Lind, Benedict D. Rogers:
A single-phase GPU-accelerated surface tension model using SPH. 109012 - Ralf Kleiber, Matthias Borchardt, Roman Hatzky, Axel Könies, Henry Leyh, Alexey Mishchenko, Jörg Riemann, Christoph Slaby, J. M. García-Regaña, Edilberto Sanchez, M. Cole:
EUTERPE: A global gyrokinetic code for stellarator geometry. 109013 - Dongming Li, James Kestyn, Eric Polizzi:
A method of calculating bandstructure in real-space with application to all-electron and full potential. 109014 - E. A. Berendeev, I. V. Timofeev, V. A. Kurshakov:
Energy and charge conserving semi-implicit particle-in-cell model for simulations of high-pressure plasmas in magnetic traps. 109020
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