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Quantum Espresso

swMATH ID: 6129
Software Authors: Giannozzi, P.; Baroni, S.; Bonini, N.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D
Description: QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). The acronym ESPRESSO stands for opEn Source Package for Research in Electronic Structure, Simulation, and Optimization. It is freely available to researchers around the world under the terms of the GNU General Public License. QUANTUM ESPRESSO builds upon newly-restructured electronic-structure codes that have been developed and tested by some of the original authors of novel electronic-structure algorithms and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency are still its main focus, with special attention paid to massively parallel architectures, and a great effort being devoted to user friendliness. QUANTUM ESPRESSO is evolving towards a distribution of independent and interoperable codes in the spirit of an open-source project, where researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.
Homepage: http://www.quantum-espresso.org/
Related Software: ABINIT; Wannier90; VASP; lobpcg.m; WIEN2k; LAPACK; Spglib; NWChem; CASTEP; CheFSI; GitHub; Python; SciPy; SparseMatrix; GAUSSIAN; VESTA 3; ScaLAPACK; SIESTA; LAMMPS; DFT-FE
Cited in: 84 Documents
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Cited by 286 Authors

9 Lin, Lin
4 Levitt, Antoine
4 Yoshimi, Kazuyoshi
3 Baroni, Stefano
3 Damle, Anil
3 E, Weinan
3 Gavini, Vikram
3 Hu, Guanghui
3 Misawa, Takahiro
3 Motoyama, Yuichi
3 Timrov, Iurii
3 Yang, Chao
2 Banerjee, Amartya S.
2 Bousquet, Eric
2 Cancès, Eric
2 Gebauer, Ralph
2 Herath, Uthpala
2 Ido, Kota
2 Kalé, Laxmikant V.
2 Karasiev, Valentin V.
2 Kawamura, Mitsuaki
2 Kemlin, Gaspard
2 Koretsune, Takashi
2 Lang, Logan
2 Li, Rencang
2 Lonie, David C.
2 Louie, Steven G.
2 Luaña, Víctor
2 Mehl, Michael J.
2 Nomura, Yusuke
2 Otero-De-La-Roza, A.
2 Romero, Aldo H.
2 Tavadze, Pedram
2 Trickey, Samuel B.
2 Vast, Nathalie
2 Ying, Lexing
2 Zhang, Linfeng
2 Zurek, Eva
1 A. Katcho, Nebil
1 Abbasi-Pérez, David
1 Amsler, Maximilian
1 Avery, Patrick
1 Bai, Zhaojun
1 Barbry, Marc
1 Barnett, Alex H.
1 Baseggio, Oscar
1 Beck, Sophie
1 Bhattacharjee, Satadeep
1 Bock, Nicolas
1 Bodroški, Žarko
1 Bohm, Eric
1 Bongiorno, Angelo
1 Bradlyn, Barry
1 Brodholt, John P.
1 Cai, Zhenning
1 Calandra, Matteo
1 Calderín, Lázaro
1 Cao, Chao
1 Car, Roberto
1 Carneiro, Fábio
1 Carral-Sainz, Nayara
1 Carrete, Jesús
1 Castro, Nuno Filipe
1 Ceresoli, Davide
1 Challacombe, Matt
1 Chandrasekar, Kavitha
1 Chechin, George M.
1 Chen, Dechao
1 Chen, Guoliang
1 Chen, Weijie
1 Choi, Jung Hae
1 Choi, Sangkook
1 Cococcioni, Matteo
1 Cohen, Marvin L.
1 Coudert, François-Xavier
1 Cuadrado, Ramón
1 Curtarolo, Stefano
1 da Jornada, Felipe H.
1 Dai, Zujian
1 Das, Sambit
1 Delugas, Pietro
1 Deslippe, Jack
1 Di, Yana
1 Dmitriev, Sergey V.
1 Dovale-Farelo, Viviana
1 Elliott, Ryan S.
1 Erlandson, Lucas
1 Eugenio, Paul Myles
1 Falls, Zackary
1 Fang, Jun
1 Faraji, Somayeh
1 Fernandez, Pablo García
1 Gao, Bin
1 Gao, Xingyu
1 Gavin, Brendan
1 Ge, Yanfeng
1 Genova, Alessandro
1 Ghasemi, S. Alireza
1 Giustino, Feliciano
1 Goedecker, Stefan
...and 186 more Authors
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Cited in 27 Serials

40 Computer Physics Communications
7 Journal of Computational Physics
6 SIAM Journal on Scientific Computing
3 Multiscale Modeling & Simulation
3 Communications in Computational Physics
2 ETNA. Electronic Transactions on Numerical Analysis
2 SciPost Physics
1 Computer Methods in Applied Mechanics and Engineering
1 Journal of Mathematical Physics
1 Letters in Mathematical Physics
1 Physica D
1 Journal of Scientific Computing
1 Journal of Elasticity
1 Numerical Linear Algebra with Applications
1 Filomat
1 Advances in Computational Mathematics
1 New Journal of Physics
1 Communications in Nonlinear Science and Numerical Simulation
1 AMRX. Applied Mathematics Research eXpress
1 Quantum Information Processing
1 Acta Numerica
1 Science China. Mathematics
1 Acta Crystallographica. Section A
1 East Asian Journal on Applied Mathematics
1 Nanoscale Systems: Mathematical Modeling, Theory and Applications
1 Quantum Studies: Mathematics and Foundations
1 Journal of Computational Physics: X
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Cited in 23 Fields

45 Statistical mechanics, structure of matter (82-XX)
35 Numerical analysis (65-XX)
30 Quantum theory (81-XX)
13 Computer science (68-XX)
11 Partial differential equations (35-XX)
9 Mechanics of deformable solids (74-XX)
7 Optics, electromagnetic theory (78-XX)
3 Linear and multilinear algebra; matrix theory (15-XX)
3 Mechanics of particles and systems (70-XX)
3 Operations research, mathematical programming (90-XX)
2 Dynamical systems and ergodic theory (37-XX)
2 Systems theory; control (93-XX)
1 Mathematical logic and foundations (03-XX)
1 Combinatorics (05-XX)
1 Group theory and generalizations (20-XX)
1 Special functions (33-XX)
1 Approximations and expansions (41-XX)
1 Functional analysis (46-XX)
1 Calculus of variations and optimal control; optimization (49-XX)
1 Statistics (62-XX)
1 Classical thermodynamics, heat transfer (80-XX)
1 Relativity and gravitational theory (83-XX)
1 Biology and other natural sciences (92-XX)

Citations by Year