CORDIS provides links to public deliverables and publications of HORIZON projects.
Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .
Deliverables
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 IV (opens in new window)Update on E-CAM software porting and benchmarking data III.
ESDW guidelines and programme IV (opens in new window)Updated 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 V (opens in new window)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 3 quarters.
ESDW guidelines and programme III (opens in new window)Updated 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 development (opens in new window)It 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 I (opens in new window)Joint 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 development (opens in new window)Special 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 II (opens in new window)E-CAM software porting and benchmarking data I.
ESDW guidelines and programme V (opens in new window)Updated 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 V (opens in new window)Update on hardware developments IV.
Hardware developments III (opens in new window)Update on hardware developments II.
E-CAM software porting and benchmarking data III (opens in new window)E-CAM software platform I (opens in new window)
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 I (opens in new window)Guidelines 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 V (opens in new window)Update on E-CAM software porting and benchmarking data IV.
E-CAM Public Wiki-like pages and newsletters II (opens in new window)E- CAM Public Wiki-like pages and newsletters II
E-CAM Public Wiki-like pages and newsletters I (opens in new window)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.
ESDW guidelines and programme II (opens in new window)Updated 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 IV (opens in new window)Update on hardware developments III.
Identification/selection of E-CAM electronic structure codes for development (opens in new window)Special 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 IV (opens in new window)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.
Hardware developments I (opens in new window)Joint 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 development (opens in new window)Special 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 II (opens in new window)Update on Hardware developments I.
ESDW technical software guidelines I (opens in new window)Guidelines 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 III (opens in new window)6 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 V (opens in new window)Final 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 IV (opens in new window)9 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 II (opens in new window)Update on E-CAM software tools and platforms jointly by CH and Juelich.
E-CAM software platform III (opens in new window)Update on E-CAM software tools and platforms jointly by CH and Juelich.
Classical MD E-CAM modules II (opens in new window)9 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 V (opens in new window)Final 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 II (opens in new window)9 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 V (opens in new window)Final 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 II (opens in new window)9 software modules delivered to the E-CAM repository in the area of Wannier90 and electron phonon Wannier calculations.
Classical MD E-CAM modules III (opens in new window)9 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 V (opens in new window)Final 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 IV (opens in new window)9 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 IV (opens in new window)Update on E-CAM software tools and platforms jointly by CH and Juelich.
E-CAM software platform V (opens in new window)Update on E-CAM software tools and platforms jointly by CH and Juelich.
Meso and multi-scale modelling E-CAM modules I (opens in new window)9 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 I (opens in new window)9 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 III (opens in new window)9 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 IV (opens in new window)6 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 I (opens in new window)9 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 II (opens in new window)6 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 IV (opens in new window)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 ECAM modules I (opens in new window)6 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 tools (opens in new window)On-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.
Publications
Author(s):
Jocelyne Vreede, Alberto Pérez de Alba Ortíz, Peter G Bolhuis, David W H Swenson
Published in:
Nucleic Acids Research, Issue 47/21, 2019, Page(s) 11069-11076, ISSN 0305-1048
Publisher:
Oxford University Press
DOI:
10.1093/nar/gkz837
Author(s):
Vitaly Gorelov, David M. Ceperley, Markus Holzmann, Carlo Pierleoni
Published in:
The Journal of Chemical Physics, Issue 153/23, 2020, Page(s) 234117, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/5.0031843
Author(s):
G. J. Agur Sevink, Jozef Adam Liwo, Pietro Asinari, Donal MacKernan, Giuseppe Milano, Ignacio Pagonabarraga
Published in:
The Journal of Chemical Physics, Issue 153/10, 2020, Page(s) 100901, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/5.0019773
Author(s):
Hartl, Benedikt; Hübl, Maximilian; Kahl, Gerhard; Zöttl, Andreas
Published in:
PNAS, Issue 55, 2021, Page(s) in press, ISSN 1091-6490
Publisher:
National academy of sciences
DOI:
10.1073/pnas.2019683118
Author(s):
Ruggero Lot, Franco Pellegrini, Yusuf Shaidu, Emine Küçükbenli
Published in:
Computer Physics Communications, Issue 256, 2020, Page(s) 107402, ISSN 0010-4655
Publisher:
Elsevier BV
DOI:
10.1016/j.cpc.2020.107402
Author(s):
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
Published in:
Interface Focus, Issue 11/1, 2021, Page(s) 20190119, ISSN 2042-8898
Publisher:
Royal Society Publishing
DOI:
10.1098/rsfs.2019.0119
Author(s):
Benedikt Hartl, Shubham Sharma, Oliver Brügner, Stijn F. L. Mertens, Michael Walter, Gerhard Kahl
Published in:
Journal of Chemical Theory and Computation, Issue 16/8, 2020, Page(s) 5227-5243, ISSN 1549-9618
Publisher:
American Chemical Society
DOI:
10.1021/acs.jctc.9b01251
Author(s):
Thomas Heinemann, Moritz Antlanger, Martial Mazars, Sabine H. L. Klapp, Gerhard Kahl
Published in:
The Journal of Chemical Physics, Issue 144/7, 2016, Page(s) 074504, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/1.4941585
Author(s):
D. López-Durán, Etienne Plésiat, Michal Krompiec, Emilio Artacho
Published in:
PLOS ONE, Issue 15/6, 2020, Page(s) e0234115, ISSN 1932-6203
Publisher:
Public Library of Science
DOI:
10.1371/journal.pone.0234115
Author(s):
Thomas Plé, Simon Huppert, Fabio Finocchi, Philippe Depondt, Sara Bonella
Published in:
The Journal of Chemical Physics, Issue 151/11, 2019, Page(s) 114114, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/1.5099246
Author(s):
Martin Peter Bircher, Andreas Singraber, Christoph Dellago
Published in:
Machine Learning: Science and Technology, 2021, ISSN 2632-2153
Publisher:
IOP Publishing Ltd
DOI:
10.1088/2632-2153/abf817
Author(s):
Jony Castagna, Xiaohu Guo, Michael Seaton, Alan O’Cais
Published in:
Computer Physics Communications, Issue 251, 2020, Page(s) 107159, ISSN 0010-4655
Publisher:
Elsevier BV
DOI:
10.1016/j.cpc.2020.107159
Author(s):
Etienne Mangaud, Simon Huppert, Thomas Plé, Philippe Depondt, Sara Bonella, Fabio Finocchi
Published in:
Journal of Chemical Theory and Computation, Issue 15/5, 2019, Page(s) 2863-2880, ISSN 1549-9618
Publisher:
American Chemical Society
DOI:
10.1021/acs.jctc.8b01164
Author(s):
Sara Bonella, Alessandro Coretti, Rodolphe Vuilleumier, Giovanni Ciccotti
Published in:
Physical Chemistry Chemical Physics, Issue 22/19, 2020, Page(s) 10775-10785, ISSN 1463-9076
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d0cp00163e
Author(s):
Lea M. Ibele, Basile F. E. Curchod
Published in:
Physical Chemistry Chemical Physics, Issue 22/27, 2020, Page(s) 15183-15196, ISSN 1463-9076
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d0cp01353f
Author(s):
Yusuf Shaidu, Emine Küçükbenli, Ruggero Lot, Franco Pellegrini, Efthimios Kaxiras, Stefano de Gironcoli
Published in:
npj Computational Materials, Issue 7/1, 2021, ISSN 2057-3960
Publisher:
Nature publishing group
DOI:
10.1038/s41524-021-00508-6
Author(s):
Moritz Antlanger, Gerhard Kahl, Martial Mazars, Ladislav Šamaj, Emmanuel Trizac
Published in:
Physical Review Letters, Issue 117/11, 2016, ISSN 0031-9007
Publisher:
American Physical Society
DOI:
10.1103/physrevlett.117.118002
Author(s):
B. Shadrack Jabes, C. Krekeler, R. Klein, L. Delle Site
Published in:
The Journal of Chemical Physics, Issue 148/19, 2018, Page(s) 193804, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/1.5009066
Author(s):
Arthur C. Newton, Ramses Kools, David W. H. Swenson, Peter G. Bolhuis
Published in:
The Journal of Chemical Physics, Issue 147/15, 2017, Page(s) 155101, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/1.5006485
Author(s):
Francesco Fracchia, Gianluca Del Frate, Giordano Mancini, Walter Rocchia, Vincenzo Barone
Published in:
Journal of Chemical Theory and Computation, Issue 14/1, 2017, Page(s) 255-273, ISSN 1549-9618
Publisher:
American Chemical Society
DOI:
10.1021/acs.jctc.7b00779
Author(s):
Craig L. Bull, Giles Flowitt-Hill, Stefano de Gironcoli, Emine Küçükbenli, Simon Parsons, Cong Huy Pham, Helen Y. Playford, Matthew G. Tucker
Published in:
IUCrJ, Issue 4/5, 2017, Page(s) 569-574, ISSN 2052-2525
Publisher:
International Union of Crystallography (IUCr)
DOI:
10.1107/S205225251701096X
Author(s):
Fernando Luís Barroso da Silva, Donal MacKernan
Published in:
Journal of Chemical Theory and Computation, Issue 13/6, 2017, Page(s) 2915-2929, ISSN 1549-9618
Publisher:
American Chemical Society
DOI:
10.1021/acs.jctc.6b01114
Author(s):
B. Shadrack Jabes and Christian Krekeler
Published in:
Computation, Issue 6/1, 2018, Page(s) 23, ISSN 2079-3197
Publisher:
MDPI
DOI:
10.3390/computation6010023
Author(s):
Yan Pan, Xiaoying Dai, Stefano de Gironcoli, Xin-Gao Gong, Gian-Marco Rignanese, Aihui Zhou
Published in:
Journal of Computational Physics, Issue 348, 2017, Page(s) 482-492, ISSN 0021-9991
Publisher:
Academic Press
DOI:
10.1016/j.jcp.2017.07.033
Author(s):
Christian Krekeler, Luigi Delle Site
Published in:
Phys. Chem. Chem. Phys., Issue 19/6, 2017, Page(s) 4701-4709, ISSN 1463-9076
Publisher:
Royal Society of Chemistry
DOI:
10.1039/C6CP07489H
Author(s):
Christoph Junghans; Animesh Agarwal; Luigi Delle Site
Published in:
Computer Physics Communications, Issue 1, 2017, ISSN 0010-4655
Publisher:
Elsevier BV
DOI:
10.1016/j.cpc.2017.01.030
Author(s):
Horacio V. Guzman, Nikita Tretyakov, Hideki Kobayashi, Aoife C. Fogarty, Karsten Kreis, Jakub Krajniak, Christoph Junghans, Kurt Kremer, Torsten Stuehn
Published in:
Computer Physics Communications, Issue 238, 2019, Page(s) 66-76, ISSN 0010-4655
Publisher:
Elsevier BV
DOI:
10.1016/j.cpc.2018.12.017
Author(s):
Luigi Delle Site, Christian Krekeler, John Whittaker, Animesh Agarwal, Rupert Klein, Felix Höfling
Published in:
Advanced Theory and Simulations, Issue 2/5, 2019, Page(s) 1900014, ISSN 2513-0390
Publisher:
WILEY-VCH Verlag GmbH & Co.
DOI:
10.1002/adts.201900014
Author(s):
Shourjya Sanyal, David F. Coker, Donal MacKernan
Published in:
Nano Communication Networks, Issue 18, 2018, Page(s) 44-50, ISSN 1878-7789
Publisher:
Elsevier BV
DOI:
10.1016/j.nancom.2018.10.003
Author(s):
Christian Krekeler, Animesh Agarwal, Christoph Junghans, Matej Praprotnik, Luigi Delle Site
Published in:
The Journal of Chemical Physics, Issue 149/2, 2018, Page(s) 024104, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/1.5031206
Author(s):
M. Mališ, P. Kl. Barkoutsos, M. Ganzhorn, S. Filipp, D. J. Egger, S. Bonella, I. Tavernelli
Published in:
Physical Review A, Issue 99/5, 2019, ISSN 2469-9926
Publisher:
American Physical Society
DOI:
10.1103/PhysRevA.99.052316
Author(s):
Moritz Antlanger, Gerhard Kahl, Martial Mazars, Ladislav Šamaj, Emmanuel Trizac
Published in:
The Journal of Chemical Physics, Issue 149/24, 2018, Page(s) 244904, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/1.5053651
Author(s):
David W. H. Swenson, Jan-Hendrik Prinz, Frank Noe, John D. Chodera, Peter G. Bolhuis
Published in:
Journal of Chemical Theory and Computation, Issue 15/2, 2018, Page(s) 837-856, ISSN 1549-9618
Publisher:
American Chemical Society
DOI:
10.1021/acs.jctc.8b00627
Author(s):
Yusuf Shaidu, Emine Küçükbenli, Stefano de Gironcoli
Published in:
The Journal of Physical Chemistry C, Issue 122/36, 2018, Page(s) 20800-20808, ISSN 1932-7447
Publisher:
American Chemical Society
DOI:
10.1021/acs.jpcc.8b05689
Author(s):
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,
Published in:
Journal of Physics: Condensed Matter, Issue 29/46, 2017, Page(s) 465901, ISSN 0953-8984
Publisher:
Institute of Physics Publishing
DOI:
10.1088/1361-648X/aa8f79
Author(s):
David W. H. Swenson, Jan-Hendrik Prinz, Frank Noe, John D. Chodera, Peter G. Bolhuis
Published in:
Journal of Chemical Theory and Computation, Issue 15/2, 2018, Page(s) 813-836, ISSN 1549-9618
Publisher:
American Chemical Society
DOI:
10.1021/acs.jctc.8b00626
Author(s):
Fan Xie, Marco Fusè, Arsh S. Hazrah, Wolfgang Jäger, Vincenzo Barone, Yunjie Xu
Published in:
Angewandte Chemie International Edition, Issue 59/50, 2020, Page(s) 22427-22430, ISSN 1433-7851
Publisher:
John Wiley & Sons Ltd.
DOI:
10.1002/anie.202010055
Author(s):
Michele Ruggeri, Markus Holzmann, David M. Ceperley, Carlo Pierleoni
Published in:
Physical Review B, Issue 102/14, 2020, ISSN 1098-0121
Publisher:
American Physical Society
DOI:
10.1103/physrevb.102.144108
Author(s):
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
Published in:
Journal of Physics: Condensed Matter, Issue 32/16, 2020, Page(s) 165902, ISSN 0953-8984
Publisher:
Institute of Physics Publishing
DOI:
10.1088/1361-648x/ab51ff
Author(s):
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,
Published in:
The Journal of Chemical Physics, Issue 153/2, 2020, Page(s) 024117, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/5.0012901
Author(s):
Luca Tubiana, Hideki Kobayashi, Raffaello Potestio, Burkhard Dünweg, Kurt Kremer, Peter Virnau, Kostas Daoulas
Published in:
Journal of Physics: Condensed Matter, Issue 33/20, 2021, Page(s) 204003, ISSN 0953-8984
Publisher:
Institute of Physics Publishing
DOI:
10.1088/1361-648x/abf20c
Author(s):
Valerio Vitale, Giovanni Pizzi, Antimo Marrazzo, Jonathan R. Yates, Nicola Marzari, Arash A. Mostofi
Published in:
npj Computational Materials, Issue 6/1, 2020, ISSN 2057-3960
Publisher:
Nature Publishing Group
DOI:
10.1038/s41524-020-0312-y
Author(s):
O'Cais, Alan; Bialczak, Milosz; Swenson, David; Uchronsk, Mariusz; Wlodarczyk, Adam
Published in:
PRACE White Paper, Issue 53, 2021
Publisher:
Zenodo
DOI:
10.5281/zenodo.4572788
Intellectual Property Rights
Application/Publication number:
PCT
IB2017/055432
Date:
2017-09-08
Applicant(s):
UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN
Searching for OpenAIRE data...
There was an error trying to search data from OpenAIRE
No results available