CORDIS proporciona enlaces a los documentos públicos y las publicaciones de los proyectos de los programas marco HORIZONTE.
Los enlaces a los documentos y las publicaciones de los proyectos del Séptimo Programa Marco, así como los enlaces a algunos tipos de resultados específicos, como conjuntos de datos y «software», se obtienen dinámicamente de OpenAIRE .
Resultado final
Report on (a) the generation and updating of Wiki-like pages describing E-CAM’s activities in a language appropriate to the general public; and, (b) E-CAM newsletters; published in previous 4 quarters.
E-CAM software Porting porting and Benchmarking benchmarking Data data IVUpdate on E-CAM software porting and benchmarking data III.
ESDW guidelines and programme IVUpdated guidelines for format, content and coding styles in the ESWD, and programme for year 4. Drafted jointly by CH, JUELICH, ICHEC and NUID UCD. Includes updated advanced on-line training modules on use of a structured Wiki-like page, basic parallel programming, scripting tools, use of version control tools.
E-CAM Public Wiki-like pages and newsletters VReport on (a) the generation and updating of Wiki-like pages describing E-CAM’s activities in a language appropriate to the general public; and, (b) E-CAM newsletters; published in previous 3 quarters.
ESDW guidelines and programme IIIUpdated guidelines for format, content and coding styles in the ESWD, and programme for year 3. Drafted jointly by CH, JUELICH, ICHEC and NUID UCD. Includes updated on-line training modules on use of a structured Wiki-like page, basic parallel programming, scripting tools, use of version control tools..
Identification/selection of E-CAM MD codes for developmentIt will contain a review of software and algorithms in the area of classical MD and a list of new software to be developed at E-CAM.
E-CAM software porting and benchmarking data IJoint technical report on results of (a) porting and optimisation of at least 8 new modules related to those developed in the ESDWs to massively parallel machine (STFC); and (b) benchmarking and scaling of at least 8 new modules related to those developed in the ESDWs on a variety of architectures (Juelich).
Identification/selection of E-CAM meso and multi-scale modelling codes for developmentSpecial report on the state of the art methods and algorithms, including: use of neural networks for force calculation and structure recognition; kinetic Monte Carlo calculations and the interface with computational fluid dynamics and electronic structure calculations; charge and polarization in dissipative dynamics calculations; statistical mechanics of Hamiltonian adaptive resolution simulations; hybrid kinetic schemes for modeling complex fluidsIt will also contain a review of software in this area and a list of new modules to be developed by E-CAM.
E-CAM software porting and benchmarking data IIE-CAM software porting and benchmarking data I.
ESDW guidelines and programme VUpdated guidelines for format, content and coding styles in the ESWD, and programme for year 5. Drafted jointly by CH, JUELICH, ICHEC and NUID UCD. Updated advanced on-line training modules on use of a structured Wiki-like page, basic parallel programming, scripting tools, use of version control tools.
Hardware developments VUpdate on hardware developments IV.
Hardware developments IIIUpdate on hardware developments II.
E-CAM software porting and benchmarking data IIIE-CAM software platform I
On-line publication of the E-CAM web-platform. The platform will include: (a) the E-CAM library of software modules and interfaces; (b) end users portal (to access E-CAM’s resources, make requests for software developments, register for events); (c) web infrastructure for teaching tools.
ESDW guidelines and programme IGuidelines for format, content and coding styles in the ESWD, and programme for year 1. Drafted jointly by CH, JUELICH, ICHEC and NUID UCD. Includes 4-8 advanced on-line training modules on use of a structured Wiki-like page, basic parallel programming, scripting tools, use of version control tools.
E-CAM software porting and benchmarking data VUpdate on E-CAM software porting and benchmarking data IV.
E-CAM Public Wiki-like pages and newsletters IIE- CAM Public Wiki-like pages and newsletters II
E-CAM Public Wiki-like pages and newsletters IReport on (a) the generation and updating of Wiki-like pages describing E-CAM’s activities in a language appropriate to the general public; and, (b) E-CAM newsletters; published in previous 4 quarters.
ESDW guidelines and programme IIUpdated guidelines for format, content and coding styles in the ESWD, and programme for year 2. Drafted jointly by CH, JUELICH, ICHEC and NUID UCD. Includes updated on-line training modules on use of a structured Wiki-like page, basic parallel programming, scripting tools, use of version control tools.
Hardware developments IVUpdate on hardware developments III.
Identification/selection of E-CAM electronic structure codes for developmentSpecial report on the state of the art codes and methods in Quantum Monte Carlo and Density Functional Theory (DFT) and beyond DFT methods. It will contain a review of the basic features that the majority of these codes have in common with a view to modularisation. It will also contain a review of software in this area and a list of new modules to be developed by E-CAM.
E-CAM Public Wiki-like pages and newsletters IVReport on (a) the generation and updating of Wiki-like pages describing E-CAM’s activities in a language appropriate to the general public; and, (b) E-CAM newsletters; published in previous 4 quarters.
Hardware developments IJoint report by STFC FR-IDF, and ICHEC on: (a) Report on hardware developments that will affect the scientific areas of interest to E-CAM and detailed feedback to the project software developers (STFC); (b) discussion of project software needs with hardware and software vendors, completion of survey of what is already available for particular hardware platforms (FR-IDF); and, detailed output from direct face-to-face session between the project end-users, developers and hardware vendors (ICHEC).
Identification/selection of E-CAM quantum dynamics codes for developmentSpecial report on the state of the art algorithms and efficient methods and interfaces for coupling electronic structure and quantum dynamical calculations. A list of new modules to be developed by E-CAM will also be provided.
Hardware developments IIUpdate on Hardware developments I.
ESDW technical software guidelines IGuidelines for technical development of the software modules and the general E-CAM software architecture.
9 software modules delivered to the E-CAM repository in the area of Electronic Structure responding to requests of users, and their documentation.
Quantum dynamics E-CAM modules III6 software modules delivered to the E-CAM repository in the area of Quantum Dynamics based on users requests and their documentation.
Classical MD E-CAM modules VFinal Software modules delivered to the E-CAM repository in the area of Classical Molecular Dynamics responding to requests of users, and their documentation.
Meso and multi-scale modelling E-CAM modules IV9 Software modules delivered to the E-CAM repository in the area of Meso and Multi-Scale Modelling responding to requests of users, and their documentation.
E-CAM software platform IIUpdate on E-CAM software tools and platforms jointly by CH and Juelich.
E-CAM software platform IIIUpdate on E-CAM software tools and platforms jointly by CH and Juelich.
Classical MD E-CAM modules II9 software modules delivered to the E-CAM repository in the area of statistical and machine learning tools for the analysis of rare events, and their documentation.
Electronic structure E-CAM modules VFinal software modules delivered to the E-CAM repository in the area of Electronic Structure responding to requests of users, and their documentation.
Meso and Multimulti-scale modelling E-CAM modules II9 software modules delivered to the E-CAM repository in the area of meso and multi-scale modelling, based on user requests and their documentation.
Quantum Dynamics dynamics E-CAM modules VFinal software modules delivered to the E-CAM library in the area of Quantum Dynamics based on users requests and their documentation.
Electronic structure E-CAM modules II9 software modules delivered to the E-CAM repository in the area of Wannier90 and electron phonon Wannier calculations.
Classical MD E-CAM modules III9 software modules delivered to the E-CAM repository in the area of classical molecular dynamics responding to requests of users, and their documentation.
Meso and multi-scale modelling E-CAM modules VFinal Software modules delivered to the E-CAM repository in the area of meso and mulit-scale modelling responding to requests of users, and their documentation.
Classical MD E-CAM modules IV9 software modules delivered to the E-CAM repository in the area of Classical Molecular Dynamics responding to requests of users, and their documentation.
E-CAM software platform IVUpdate on E-CAM software tools and platforms jointly by CH and Juelich.
E-CAM software platform VUpdate on E-CAM software tools and platforms jointly by CH and Juelich.
Meso and multi-scale modelling E-CAM modules I9 software modules delivered to the E-CAM repository in the area of meso and multi-scale modelling, and their documentation.
Classical MD E-CAM modules I9 software modules in classical Molecular Dynamics delivered to the E-CAM repository in the area of trajectory sampling, thermodynamics and kinetics of rare events, and their documentation.
Meso and multi-scale modelling E-CAM modules III9 software modules delivered to the E-CAM repository in the area of meso and multi-scale modelling, based on user requests and their documentation.
Quantum dynamics E-CAM modules IV6 software modules delivered to the ECAM repository in the area of Quantum Dynamics based on users requests and their documentation
Electronic structure E-CAM modules I9 Software modules delivered to the E-CAM library in electronic structure including solvers for localised orbitals, for computing on a grid and solvers, and for transport, and their documentation.
Quantum dynamics E-CAM modules II6 software modules delivered to the E-CAM repository in the area of quantum dynamics based on user requests and their documentation.
Electronic structure E-CAM modules IV9 Software modules delivered to the E-CAM repository in the area of Electronic Structure responding to requests of users, and their documentation.
Quantum dynamics ECAM modules I6 software modules delivered to the E-CAM repository in the areas of: (1) approximate methods for computing quantum time correlation functions; (2) exact integrators for the Schroedinger equation; (3) model potentials of increasing complexity for benchmarking
E-CAM software development toolsOn-line deployment of centralized tools for software development, documentation and maintenance. These will include tools for automatic extraction of software documentation, bug tracking, version control, low-level software (e.g. memory handling).
The Project Administrator will develop a Data Management Plan (DMP) with all the participants. It will describe in detail how reports and data are handled. The plan will be approved and owned by the Executive Management Team. The plan, that outlines the practices for collecting, organizing, backing-up, and storing the data, will be updated regularly throughout the project. Within this task the data management plan for the Pilot on Open Research Data will be defined and delivered. It will outline how the data, including associated metadata, needed to validate the results presented in scientific publications will be made available openly.
Publicaciones
Autores:
Jocelyne Vreede, Alberto Pérez de Alba Ortíz, Peter G Bolhuis, David W H Swenson
Publicado en:
Nucleic Acids Research, Edición 47/21, 2019, Página(s) 11069-11076, ISSN 0305-1048
Editor:
Oxford University Press
DOI:
10.1093/nar/gkz837
Autores:
Vitaly Gorelov, David M. Ceperley, Markus Holzmann, Carlo Pierleoni
Publicado en:
The Journal of Chemical Physics, Edición 153/23, 2020, Página(s) 234117, ISSN 0021-9606
Editor:
American Institute of Physics
DOI:
10.1063/5.0031843
Autores:
G. J. Agur Sevink, Jozef Adam Liwo, Pietro Asinari, Donal MacKernan, Giuseppe Milano, Ignacio Pagonabarraga
Publicado en:
The Journal of Chemical Physics, Edición 153/10, 2020, Página(s) 100901, ISSN 0021-9606
Editor:
American Institute of Physics
DOI:
10.1063/5.0019773
Autores:
Hartl, Benedikt; Hübl, Maximilian; Kahl, Gerhard; Zöttl, Andreas
Publicado en:
PNAS, Edición 55, 2021, Página(s) in press, ISSN 1091-6490
Editor:
National academy of sciences
DOI:
10.1073/pnas.2019683118
Autores:
Ruggero Lot, Franco Pellegrini, Yusuf Shaidu, Emine Küçükbenli
Publicado en:
Computer Physics Communications, Edición 256, 2020, Página(s) 107402, ISSN 0010-4655
Editor:
Elsevier BV
DOI:
10.1016/j.cpc.2020.107402
Autores:
J. W. S. McCullough, R. A. Richardson, A. Patronis, R. Halver, R. Marshall, M. Ruefenacht, B. J. N. Wylie, T. Odaker, M. Wiedemann, B. Lloyd, E. Neufeld, G. Sutmann, A. Skjellum, D. Kranzlmüller, P. V. Coveney
Publicado en:
Interface Focus, Edición 11/1, 2021, Página(s) 20190119, ISSN 2042-8898
Editor:
Royal Society Publishing
DOI:
10.1098/rsfs.2019.0119
Autores:
Benedikt Hartl, Shubham Sharma, Oliver Brügner, Stijn F. L. Mertens, Michael Walter, Gerhard Kahl
Publicado en:
Journal of Chemical Theory and Computation, Edición 16/8, 2020, Página(s) 5227-5243, ISSN 1549-9618
Editor:
American Chemical Society
DOI:
10.1021/acs.jctc.9b01251
Autores:
Thomas Heinemann, Moritz Antlanger, Martial Mazars, Sabine H. L. Klapp, Gerhard Kahl
Publicado en:
The Journal of Chemical Physics, Edición 144/7, 2016, Página(s) 074504, ISSN 0021-9606
Editor:
American Institute of Physics
DOI:
10.1063/1.4941585
Autores:
D. López-Durán, Etienne Plésiat, Michal Krompiec, Emilio Artacho
Publicado en:
PLOS ONE, Edición 15/6, 2020, Página(s) e0234115, ISSN 1932-6203
Editor:
Public Library of Science
DOI:
10.1371/journal.pone.0234115
Autores:
Thomas Plé, Simon Huppert, Fabio Finocchi, Philippe Depondt, Sara Bonella
Publicado en:
The Journal of Chemical Physics, Edición 151/11, 2019, Página(s) 114114, ISSN 0021-9606
Editor:
American Institute of Physics
DOI:
10.1063/1.5099246
Autores:
Martin Peter Bircher, Andreas Singraber, Christoph Dellago
Publicado en:
Machine Learning: Science and Technology, 2021, ISSN 2632-2153
Editor:
IOP Publishing Ltd
DOI:
10.1088/2632-2153/abf817
Autores:
Jony Castagna, Xiaohu Guo, Michael Seaton, Alan O’Cais
Publicado en:
Computer Physics Communications, Edición 251, 2020, Página(s) 107159, ISSN 0010-4655
Editor:
Elsevier BV
DOI:
10.1016/j.cpc.2020.107159
Autores:
Etienne Mangaud, Simon Huppert, Thomas Plé, Philippe Depondt, Sara Bonella, Fabio Finocchi
Publicado en:
Journal of Chemical Theory and Computation, Edición 15/5, 2019, Página(s) 2863-2880, ISSN 1549-9618
Editor:
American Chemical Society
DOI:
10.1021/acs.jctc.8b01164
Autores:
Sara Bonella, Alessandro Coretti, Rodolphe Vuilleumier, Giovanni Ciccotti
Publicado en:
Physical Chemistry Chemical Physics, Edición 22/19, 2020, Página(s) 10775-10785, ISSN 1463-9076
Editor:
Royal Society of Chemistry
DOI:
10.1039/d0cp00163e
Autores:
Lea M. Ibele, Basile F. E. Curchod
Publicado en:
Physical Chemistry Chemical Physics, Edición 22/27, 2020, Página(s) 15183-15196, ISSN 1463-9076
Editor:
Royal Society of Chemistry
DOI:
10.1039/d0cp01353f
Autores:
Yusuf Shaidu, Emine Küçükbenli, Ruggero Lot, Franco Pellegrini, Efthimios Kaxiras, Stefano de Gironcoli
Publicado en:
npj Computational Materials, Edición 7/1, 2021, ISSN 2057-3960
Editor:
Nature publishing group
DOI:
10.1038/s41524-021-00508-6
Autores:
Moritz Antlanger, Gerhard Kahl, Martial Mazars, Ladislav Šamaj, Emmanuel Trizac
Publicado en:
Physical Review Letters, Edición 117/11, 2016, ISSN 0031-9007
Editor:
American Physical Society
DOI:
10.1103/physrevlett.117.118002
Autores:
B. Shadrack Jabes, C. Krekeler, R. Klein, L. Delle Site
Publicado en:
The Journal of Chemical Physics, Edición 148/19, 2018, Página(s) 193804, ISSN 0021-9606
Editor:
American Institute of Physics
DOI:
10.1063/1.5009066
Autores:
Arthur C. Newton, Ramses Kools, David W. H. Swenson, Peter G. Bolhuis
Publicado en:
The Journal of Chemical Physics, Edición 147/15, 2017, Página(s) 155101, ISSN 0021-9606
Editor:
American Institute of Physics
DOI:
10.1063/1.5006485
Autores:
Francesco Fracchia, Gianluca Del Frate, Giordano Mancini, Walter Rocchia, Vincenzo Barone
Publicado en:
Journal of Chemical Theory and Computation, Edición 14/1, 2017, Página(s) 255-273, ISSN 1549-9618
Editor:
American Chemical Society
DOI:
10.1021/acs.jctc.7b00779
Autores:
Craig L. Bull, Giles Flowitt-Hill, Stefano de Gironcoli, Emine Küçükbenli, Simon Parsons, Cong Huy Pham, Helen Y. Playford, Matthew G. Tucker
Publicado en:
IUCrJ, Edición 4/5, 2017, Página(s) 569-574, ISSN 2052-2525
Editor:
International Union of Crystallography (IUCr)
DOI:
10.1107/S205225251701096X
Autores:
Fernando Luís Barroso da Silva, Donal MacKernan
Publicado en:
Journal of Chemical Theory and Computation, Edición 13/6, 2017, Página(s) 2915-2929, ISSN 1549-9618
Editor:
American Chemical Society
DOI:
10.1021/acs.jctc.6b01114
Autores:
B. Shadrack Jabes and Christian Krekeler
Publicado en:
Computation, Edición 6/1, 2018, Página(s) 23, ISSN 2079-3197
Editor:
MDPI
DOI:
10.3390/computation6010023
Autores:
Yan Pan, Xiaoying Dai, Stefano de Gironcoli, Xin-Gao Gong, Gian-Marco Rignanese, Aihui Zhou
Publicado en:
Journal of Computational Physics, Edición 348, 2017, Página(s) 482-492, ISSN 0021-9991
Editor:
Academic Press
DOI:
10.1016/j.jcp.2017.07.033
Autores:
Christian Krekeler, Luigi Delle Site
Publicado en:
Phys. Chem. Chem. Phys., Edición 19/6, 2017, Página(s) 4701-4709, ISSN 1463-9076
Editor:
Royal Society of Chemistry
DOI:
10.1039/C6CP07489H
Autores:
Christoph Junghans; Animesh Agarwal; Luigi Delle Site
Publicado en:
Computer Physics Communications, Edición 1, 2017, ISSN 0010-4655
Editor:
Elsevier BV
DOI:
10.1016/j.cpc.2017.01.030
Autores:
Horacio V. Guzman, Nikita Tretyakov, Hideki Kobayashi, Aoife C. Fogarty, Karsten Kreis, Jakub Krajniak, Christoph Junghans, Kurt Kremer, Torsten Stuehn
Publicado en:
Computer Physics Communications, Edición 238, 2019, Página(s) 66-76, ISSN 0010-4655
Editor:
Elsevier BV
DOI:
10.1016/j.cpc.2018.12.017
Autores:
Luigi Delle Site, Christian Krekeler, John Whittaker, Animesh Agarwal, Rupert Klein, Felix Höfling
Publicado en:
Advanced Theory and Simulations, Edición 2/5, 2019, Página(s) 1900014, ISSN 2513-0390
Editor:
WILEY-VCH Verlag GmbH & Co.
DOI:
10.1002/adts.201900014
Autores:
Shourjya Sanyal, David F. Coker, Donal MacKernan
Publicado en:
Nano Communication Networks, Edición 18, 2018, Página(s) 44-50, ISSN 1878-7789
Editor:
Elsevier BV
DOI:
10.1016/j.nancom.2018.10.003
Autores:
Christian Krekeler, Animesh Agarwal, Christoph Junghans, Matej Praprotnik, Luigi Delle Site
Publicado en:
The Journal of Chemical Physics, Edición 149/2, 2018, Página(s) 024104, ISSN 0021-9606
Editor:
American Institute of Physics
DOI:
10.1063/1.5031206
Autores:
M. Mališ, P. Kl. Barkoutsos, M. Ganzhorn, S. Filipp, D. J. Egger, S. Bonella, I. Tavernelli
Publicado en:
Physical Review A, Edición 99/5, 2019, ISSN 2469-9926
Editor:
American Physical Society
DOI:
10.1103/PhysRevA.99.052316
Autores:
Moritz Antlanger, Gerhard Kahl, Martial Mazars, Ladislav Šamaj, Emmanuel Trizac
Publicado en:
The Journal of Chemical Physics, Edición 149/24, 2018, Página(s) 244904, ISSN 0021-9606
Editor:
American Institute of Physics
DOI:
10.1063/1.5053651
Autores:
David W. H. Swenson, Jan-Hendrik Prinz, Frank Noe, John D. Chodera, Peter G. Bolhuis
Publicado en:
Journal of Chemical Theory and Computation, Edición 15/2, 2018, Página(s) 837-856, ISSN 1549-9618
Editor:
American Chemical Society
DOI:
10.1021/acs.jctc.8b00627
Autores:
Yusuf Shaidu, Emine Küçükbenli, Stefano de Gironcoli
Publicado en:
The Journal of Physical Chemistry C, Edición 122/36, 2018, Página(s) 20800-20808, ISSN 1932-7447
Editor:
American Chemical Society
DOI:
10.1021/acs.jpcc.8b05689
Autores:
P Giannozzi, O Andreussi, T Brumme, O Bunau, M Buongiorno Nardelli, M Calandra, R Car, C Cavazzoni, D Ceresoli, M Cococcioni, N Colonna, I Carnimeo, A Dal Corso, S de Gironcoli, P Delugas, R A DiStasio, A Ferretti, A Floris, G Fratesi, G Fugallo, R Gebauer, U Gerstmann, F Giustino, T Gorni, J Jia, M Kawamura, H-Y Ko, A Kokalj, E Küçükbenli, M Lazzeri, M Marsili, N Marzari, F Mauri, N L Nguyen,
Publicado en:
Journal of Physics: Condensed Matter, Edición 29/46, 2017, Página(s) 465901, ISSN 0953-8984
Editor:
Institute of Physics Publishing
DOI:
10.1088/1361-648X/aa8f79
Autores:
David W. H. Swenson, Jan-Hendrik Prinz, Frank Noe, John D. Chodera, Peter G. Bolhuis
Publicado en:
Journal of Chemical Theory and Computation, Edición 15/2, 2018, Página(s) 813-836, ISSN 1549-9618
Editor:
American Chemical Society
DOI:
10.1021/acs.jctc.8b00626
Autores:
Fan Xie, Marco Fusè, Arsh S. Hazrah, Wolfgang Jäger, Vincenzo Barone, Yunjie Xu
Publicado en:
Angewandte Chemie International Edition, Edición 59/50, 2020, Página(s) 22427-22430, ISSN 1433-7851
Editor:
John Wiley & Sons Ltd.
DOI:
10.1002/anie.202010055
Autores:
Michele Ruggeri, Markus Holzmann, David M. Ceperley, Carlo Pierleoni
Publicado en:
Physical Review B, Edición 102/14, 2020, ISSN 1098-0121
Editor:
American Physical Society
DOI:
10.1103/physrevb.102.144108
Autores:
Giovanni Pizzi, Valerio Vitale, Ryotaro Arita, Stefan Blügel, Frank Freimuth, Guillaume Géranton, Marco Gibertini, Dominik Gresch, Charles Johnson, Takashi Koretsune, Julen Ibañez-Azpiroz, Hyungjun Lee, Jae-Mo Lihm, Daniel Marchand, Antimo Marrazzo, Yuriy Mokrousov, Jamal I Mustafa, Yoshiro Nohara, Yusuke Nomura, Lorenzo Paulatto, Samuel Poncé, Thomas Ponweiser, Junfeng Qiao, Florian Thöle, S
Publicado en:
Journal of Physics: Condensed Matter, Edición 32/16, 2020, Página(s) 165902, ISSN 0953-8984
Editor:
Institute of Physics Publishing
DOI:
10.1088/1361-648x/ab51ff
Autores:
Micael J. T. Oliveira, Nick Papior, Yann Pouillon, Volker Blum, Emilio Artacho, Damien Caliste, Fabiano Corsetti, Stefano de Gironcoli, Alin M. Elena, Alberto García, Víctor M. García-Suárez, Luigi Genovese, William P. Huhn, Georg Huhs, Sebastian Kokott, Emine Küçükbenli, Ask H. Larsen, Alfio Lazzaro, Irina V. Lebedeva, Yingzhou Li, David López-Durán, Pablo López-Tarifa, Martin Lüders,
Publicado en:
The Journal of Chemical Physics, Edición 153/2, 2020, Página(s) 024117, ISSN 0021-9606
Editor:
American Institute of Physics
DOI:
10.1063/5.0012901
Autores:
Luca Tubiana, Hideki Kobayashi, Raffaello Potestio, Burkhard Dünweg, Kurt Kremer, Peter Virnau, Kostas Daoulas
Publicado en:
Journal of Physics: Condensed Matter, Edición 33/20, 2021, Página(s) 204003, ISSN 0953-8984
Editor:
Institute of Physics Publishing
DOI:
10.1088/1361-648x/abf20c
Autores:
Valerio Vitale, Giovanni Pizzi, Antimo Marrazzo, Jonathan R. Yates, Nicola Marzari, Arash A. Mostofi
Publicado en:
npj Computational Materials, Edición 6/1, 2020, ISSN 2057-3960
Editor:
Nature Publishing Group
DOI:
10.1038/s41524-020-0312-y
Autores:
O'Cais, Alan; Bialczak, Milosz; Swenson, David; Uchronsk, Mariusz; Wlodarczyk, Adam
Publicado en:
PRACE White Paper, Edición 53, 2021
Editor:
Zenodo
DOI:
10.5281/zenodo.4572788
Derechos de propiedad intelectual
Número de solicitud/publicación:
PCT
IB2017/055432
Fecha:
2017-09-08
Solicitante(s):
UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN
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