Deliverables
Atomic defect properties extracted from the electrical measurements on FE-HfO2-device
First report on IM2D box evaluation through user feedback based on the FOMs
Data management plan assessment and revision
Second report on dissemination and communication activity
Report on INTERSECT developed ontologies and MODA
Final report on governing bodies activity
Innovation management plan
Business plan assessment and revision
First report on project’s governing bodies, KPI, and setting up
Risk assessment and riskmitigation reports
Impact of stable defect configurations on the electrical performances of OTS selectors
Impact of stable defect configurations on performances and scaling of HfO2-based FEdevices
Impact of stable defect configurations on performances and scaling of HfO2based FEdevices
Innovation management assessment and revisionReport on use cases and system requirements
First business plan
Report on high-level requirements, interoperability interfaces for coupling and linking
First report on dissemination and communication activity
Second report on IM2D box evaluation
QE and SIESTATM workflows for advanced materials parameters (Tasks 2.1.3-5): Part II
QE and SIESTATM workflows for advanced materials parameters Tasks 2135 Part II
Materials-to-device and device-to-materials syntactic interconnectionsMaterialstodevice and devicetomaterials syntactic interconnections
Realization of GinestraTM data section on Materials CloudCreation of code repository and versioning system
Pipelines to/from external repositories
Pipelines tofrom external repositories
GUI design and setupGUI deployment
Semantic interoperability of the automated workflows through SymPhoNy
Internal check tests and IM2D documentation
QE and SIESTATM workflows for basic materials parameters (Tasks 2.2.1, 2.2.2)
QE and SIESTATM workflows for advanced materials parameters (Tasks 2.1.3-5): Part I
QE and SIESTATM workflows for advanced materials parameters Tasks 2135 Part I
First data management plan
Publications
Author(s):
Xu He, Nicole Helbig, Matthieu J. Verstraete, Eric Bousquet
Published in:
Computer Physics Communications, Issue 264, 2021, Page(s) 107938, ISSN 0010-4655
Publisher:
Elsevier BV
DOI:
10.1016/j.cpc.2021.107938
Author(s):
Leopold Talirz, Snehal Kumbhar, Elsa Passaro, Aliaksandr V. Yakutovich, Valeria Granata, Fernando Gargiulo, Marco Borelli, Martin Uhrin, Sebastiaan P. Huber, Spyros Zoupanos, Carl S. Adorf, Casper Welzel Andersen, Ole Schütt, Carlo A. Pignedoli, Daniele Passerone, Joost VandeVondele, Thomas C. Schulthess, Berend Smit, Giovanni Pizzi, Nicola Marzari
Published in:
Scientific Data, Issue 7/1, 2020, ISSN 2052-4463
Publisher:
Springer Nature
DOI:
10.1038/s41597-020-00637-5
Author(s):
S.P. Huber, E. Bosoni, M. Bercx, J. Bröder, A. Degomme, V. Dikan, K. Eimre, E. Flage-Larsen, A. Garcia, L. Genovese, D. Gresch, C. Johnston, G. Petretto, S. Poncé, G.-M. Rignanese, C.J. Sewell, B. Smit, V. Tseplyaev, M. Uhrin, D. Wortmann, A. V. Yakutovich, A. Zadoks, P. Zarabadi-Poor, B. Zhu, N. Marzari, and G. Pizzi
Published in:
npj Computational Materials, Issue 7, 136, 2021, ISSN 2057-3960
Publisher:
Springer Nature
DOI:
10.1038/s41524-021-00594-6
Author(s):
J. Y. Ni, X. Y. Li, D. Amoroso, X. He, J. S. Feng, E. J. Kan, S. Picozzi, and H. J. Xiang
Published in:
Physical Review Letters, Issue 127, 2410,, 2021, ISSN 1079-7114
Publisher:
APS
DOI:
10.1103/physrevlett.127.247204
Author(s):
Sebastiaan P. Huber, Spyros Zoupanos, Martin Uhrin, Leopold Talirz, Leonid Kahle, Rico Häuselmann, Dominik Gresch, Tiziano Müller, Aliaksandr V. Yakutovich, Casper W. Andersen, Francisco F. Ramirez, Carl S. Adorf, Fernando Gargiulo, Snehal Kumbhar, Elsa Passaro, Conrad Johnston, Andrius Merkys, Andrea Cepellotti, Nicolas Mounet, Nicola Marzari, Boris Kozinsky, Giovanni Pizzi
Published in:
Scientific Data, Issue 7/1, 2020, ISSN 2052-4463
Publisher:
Springer Nature
DOI:
10.1038/s41597-020-00638-4
Author(s):
Protik, Nakib H.; Li, Chunhua; Pruneda, Miguel; Broido, David; Ordejón, Pablo
Published in:
npj Computational Materials, Vol 8, Iss 1, Pp 1-9 (2022), Issue 1, 2022, ISSN 2057-3960
Publisher:
Springer Nature
DOI:
10.1038/s41524-022-00710-0
Author(s):
Francesco Tavanti, Behnood Dianat, Alessandra Catellani, Arrigo Calzolari
Published in:
ACS Applied Electronic Materials, Issue 2/9, 2020, Page(s) 2961-2969, ISSN 2637-6113
Publisher:
ACS Publications
DOI:
10.1021/acsaelm.0c00581
Author(s):
D. Saleta Reig, S. Varghese, R. Farris, A. Block, J. D. Mehew, O. Hellman, P. Woźniak, M. Sledzinska, A. El Sachat, E. Chávez-Ángel, S. O. Valenzuela, N. F. van Hulst, P. Ordejón, Z. Zanolli, C. M. Sotomayor Torres, M. J. Verstraete, and K.-J. Tielrooij
Published in:
Adv. Mater. 2108352 (2022), 2022, ISSN 1521-4095
Publisher:
Wiley
DOI:
10.1002/adma.202108352
Author(s):
Md Nur K Alam, S. Clima, B. J. O'Sullivan, B. Kaczer, G. Pourtois, M. Heyns, J. Van Houdt
Published in:
Journal of Applied Physics, Issue 129/8, 2021, Page(s) 084102, ISSN 0021-8979
Publisher:
American Institute of Physics
DOI:
10.1063/5.0033957
Author(s):
Iurii Timrov, Francesco Aquilante, Luca Binci, Matteo Cococcioni, Nicola Marzari
Published in:
Physical Review B, Issue 102/23, 2020, ISSN 2469-9950
Publisher:
APS
DOI:
10.1103/physrevb.102.235159
Author(s):
Sergiu Clima, Daniele Garbin, Karl Opsomer, Naga S. Avasarala, Wouter Devulder, Ilya Shlyakhov, Jonas Keukelier, Gabriele L. Donadio, Thomas Witters, Shreya Kundu, Bogdan Govoreanu, Ludovic Goux, Christophe Detavernier, Valeri Afanas'ev, Gouri S. Kar, Geoffrey Pourtois
Published in:
physica status solidi (RRL) – Rapid Research Letters, Issue 14/5, 2020, Page(s) 1900672, ISSN 1862-6254
Publisher:
Wiley - VCH Verlag GmbH & CO. KGaA
DOI:
10.1002/pssr.201900672
Author(s):
Arrigo Calzolari, Alessandra Catellani
Published in:
IEEE Access, Issue 8, 2020, Page(s) 156308-156313, ISSN 2169-3536
Publisher:
Institute of Electrical and Electronics Engineers Inc.
DOI:
10.1109/access.2020.3017726
Author(s):
Aliaksandr V. Yakutovich, Kristjan Eimre, Ole Schütt, Leopold Talirz, Carl S. Adorf, Casper W. Andersen, Edward Ditler, Dou Du, Daniele Passerone, Berend Smit, Nicola Marzari, Giovanni Pizzi, Carlo A. Pignedoli
Published in:
Computational Materials Science, Issue 188, 2021, Page(s) 110165, ISSN 0927-0256
Publisher:
Elsevier BV
DOI:
10.1016/j.commatsci.2020.110165
Author(s):
B. Dianat, F. Tavanti, A. Padovani, L. Larcher, and A. Calzolari
Published in:
Computational Materials Science, Issue 209, 2022, Page(s) 111381, ISSN 0927-0256
Publisher:
Elsevier BV
DOI:
10.1016/j.commatsci.2022.111381
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