Výsledky vyhledávání - "Computer physics communications"

LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales Autor Thompson, Aidan P., Aktulga, H. Metin, Berger, Richard, Bolintineanu, Dan S., Brown, W. Michael, Crozier, Paul S., in 't Veld, Pieter J., Kohlmeyer, Axel, Moore, Stan G., Nguyen, Trung Dac, Shan, Ray, Stevens, Mark J., Tranchida, Julien, Trott, Christian, Plimpton, Steven J.

“…Since the classical molecular dynamics simulator LAMMPS was released as an open source code in 2004, it has become a widely-used tool for particle-based…”
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VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code Autor Wang, Vei, Xu, Nan, Liu, Jin-Cheng, Tang, Gang, Geng, Wen-Tong

“…We present the VASPKIT, a command-line program that aims at providing a robust and user-friendly interface to perform high-throughput analysis of a variety of…”
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FeynCalc 9.3: New features and improvements Autor Shtabovenko, Vladyslav, Mertig, Rolf, Orellana, Frederik

“…We present FeynCalc 9.3, a new stable version of a powerful and versatile Mathematica package for symbolic quantum field theory (QFT) calculations. Some…”
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AMFlow: A Mathematica package for Feynman integrals computation via auxiliary mass flow Autor Liu, Xiao, Ma, Yan-Qing

“…AMFlow is a Mathematica package to numerically compute dimensionally regularized Feynman integrals via the recently proposed auxiliary mass flow method. In…”
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Integral reduction with Kira 2.0 and finite field methods Autor Klappert, Jonas, Lange, Fabian, Maierhöfer, Philipp, Usovitsch, Johann

“…We present the new version 2.0 of the Feynman integral reduction program Kira and describe the new features. The primary new feature is the reconstruction of…”
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DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models Autor Zhang, Yuzhi, Wang, Haidi, Chen, Weijie, Zeng, Jinzhe, Zhang, Linfeng, Wang, Han, E, Weinan

“…In recent years, promising deep learning based interatomic potential energy surface (PES) models have been proposed that can potentially allow us to perform…”
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FourPhonon: An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity Autor Han, Zherui, Yang, Xiaolong, Li, Wu, Feng, Tianli, Ruan, Xiulin

“…FourPhonon is a computational package that can calculate four-phonon scattering rates in crystals. It is built within ShengBTE framework, which is a…”
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The Abinitproject: Impact, environment and recent developments Autor Gonze, Xavier, Amadon, Bernard, Antonius, Gabriel, Arnardi, Frédéric, Baguet, Lucas, Beuken, Jean-Michel, Bieder, Jordan, Bottin, François, Bouchet, Johann, Bousquet, Eric, Brouwer, Nils, Bruneval, Fabien, Brunin, Guillaume, Cavignac, Théo, Charraud, Jean-Baptiste, Chen, Wei, Côté, Michel, Cottenier, Stefaan, Denier, Jules, Geneste, Grégory, Ghosez, Philippe, Giantomassi, Matteo, Gillet, Yannick, Gingras, Olivier, Hamann, Donald R., Hautier, Geoffroy, He, Xu, Helbig, Nicole, Holzwarth, Natalie, Jia, Yongchao, Jollet, François, Lafargue-Dit-Hauret, William, Lejaeghere, Kurt, Marques, Miguel A.L., Martin, Alexandre, Martins, Cyril, Miranda, Henrique P.C., Naccarato, Francesco, Persson, Kristin, Petretto, Guido, Planes, Valentin, Pouillon, Yann, Prokhorenko, Sergei, Ricci, Fabio, Rignanese, Gian-Marco, Romero, Aldo H., Schmitt, Michael Marcus, Torrent, Marc, van Setten, Michiel J., Van Troeye, Benoit, Verstraete, Matthieu J., Zérah, Gilles, Zwanziger, Josef W.

“…Abinitis a material- and nanostructure-oriented package that implements density-functional theory (DFT) and many-body perturbation theory (MBPT) to find, from…”
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DScribe: Library of descriptors for machine learning in materials science Autor Himanen, Lauri, Jäger, Marc O.J., Morooka, Eiaki V., Federici Canova, Filippo, Ranawat, Yashasvi S., Gao, David Z., Rinke, Patrick, Foster, Adam S.

“…DScribe is a software package for machine learning that provides popular feature transformations (“descriptors”) for atomistic materials simulations. DScribe…”
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HiggsTools: BSM scalar phenomenology with new versions of HiggsBounds and HiggsSignals Autor Bahl, Henning, Biekötter, Thomas, Heinemeyer, Sven, Li, Cheng, Paasch, Steven, Weiglein, Georg, Wittbrodt, Jonas

“…The codes HiggsBounds and HiggsSignals compare model predictions of BSM models with extended scalar sectors to searches for additional scalars and to…”
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WannierTools: An open-source software package for novel topological materials Autor Wu, QuanSheng, Zhang, ShengNan, Song, Hai-Feng, Troyer, Matthias, Soluyanov, Alexey A.

“…We present an open-source software package WannierTools, a tool for investigation of novel topological materials. This code works in the tight-binding…”
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DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics Autor Wang, Han, Zhang, Linfeng, Han, Jiequn, E, Weinan

“…Recent developments in many-body potential energy representation via deep learning have brought new hopes to addressing the accuracy-versus-efficiency dilemma…”
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The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table Autor van Setten, M.J., Giantomassi, M., Bousquet, E., Verstraete, M.J., Hamann, D.R., Gonze, X., Rignanese, G.-M.

“…First-principles calculations in crystalline structures are often performed with a planewave basis set. To make the number of basis functions tractable two…”
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Irvsp: To obtain irreducible representations of electronic states in the VASP Autor Gao, Jiacheng, Wu, Quansheng, Persson, Clas, Wang, Zhijun

“…We present an open-source program irvsp, to compute irreducible representations of electronic states for all 230 space groups with an interface to the Vienna…”
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The Abinit project: impact, environment and recent developments Autor Gonze, Xavier, Amadon, Bernard, Antonius, Gabriel, Arnardi, Frédéric, Baguet, Lucas, Beuken, Jean-Michel, Bieder, Jordan, Bottin, François, Bouchet, Johann, Bousquet, Eric, Brouwer, Nils, Bruneval, Fabien, Brunin, Guillaume, Cavignac, Théo, Charraud, Jean-Baptiste, Chen, Wei, Côté, Michel, Cottenier, Stefaan, Denier, Jules, Geneste, Grégory, Ghosez, Philippe, Giantomassi, Matteo, Gillet, Yannick, Gingras, Olivier, Hamann, Donald R, Hautier, Geoffroy, He, Xu, Helbig, Nicole, Holzwarth, Natalie, Jia, Yongchao, Jollet, François, Lafargue-Dit-Hauret, William, Lejaeghere, Kurt, Marques, Miguel Al, Martin, Alexandre, Martins, Cyril, Miranda, Henrique Pc, Naccarato, Francesco, Persson, Kristin A, Petretto, Guido, Planes, Valentin, Pouillon, Yann, Prokhorenko, Sergei, Ricci, Fabio, Rignanese, Gian-Marco, Romero, Aldo H, Schmitt, Michael Marcus, Torrent, Marc, Setten, Michiel J Van, Troeye, Benoit Van, Verstraete, Matthieu J, Zérah, Gilles, Zwanziger, Josef W

“…Abinit is a material- and nanostructure-oriented package that implements density-functional theory (DFT) and many-bodyperturbation theory (MBPT) to find, from…”
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TB2J: A python package for computing magnetic interaction parameters Autor He, Xu, Helbig, Nicole, Verstraete, Matthieu J., Bousquet, Eric

“…We present TB2J, a Python package for the automatic computation of magnetic interactions, including exchange and Dzyaloshinskii–Moriya, between atoms of…”
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Perturbo: A software package for ab initio electron–phonon interactions, charge transport and ultrafast dynamics Autor Zhou, Jin-Jian, Park, Jinsoo, Lu, I-Te, Maliyov, Ivan, Tong, Xiao, Bernardi, Marco

“…Perturbo is a software package for first-principles calculations of charge transport and ultrafast carrier dynamics in materials. The current version focuses…”
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PyProcar: A Python library for electronic structure pre/post-processing Autor Herath, Uthpala, Tavadze, Pedram, He, Xu, Bousquet, Eric, Singh, Sobhit, Muñoz, Francisco, Romero, Aldo H.

“…The PyProcar Python package plots the band structure and the Fermi surface as a function of site and/or s,p,d,f - projected wavefunctions obtained for each…”
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micrOMEGAs5.0 : Freeze-in Autor Bélanger, G., Boudjema, F., Goudelis, A., Pukhov, A., Zaldívar, B.

“…We present a major upgrade of the micrOMEGAs dark matter code to compute the abundance of feebly interacting dark matter candidates through the freeze-in…”
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micrOMEGAs 6.0: N-component dark matter Autor Alguero, G., Bélanger, G., Boudjema, F., Chakraborti, S., Goudelis, A., Kraml, S., Mjallal, A., Pukhov, A.

“…micrOMEGAs is a numerical code to compute dark matter (DM) observables in generic extensions of the Standard Model (SM) of particle physics. We present a new…”
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