Zobrazeno 1 - 10
of 45
pro vyhledávání: '"Marco Esters"'
Autor:
Arrigo Calzolari, Corey Oses, Cormac Toher, Marco Esters, Xiomara Campilongo, Sergei P. Stepanoff, Douglas E. Wolfe, Stefano Curtarolo
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-9 (2022)
Tunable plasmonic materials capable of surviving harsh environments are critical for advanced applications. Here, the authors report that some high-entropy transition-metal carbides can satisfy the requirements.
Externí odkaz:
https://doaj.org/article/08fd986d76db49d78a135b5ad970067b
Autor:
Marco Esters, Corey Oses, David Hicks, Michael J. Mehl, Michal Jahnátek, Mohammad Delower Hossain, Jon-Paul Maria, Donald W. Brenner, Cormac Toher, Stefano Curtarolo
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-11 (2021)
The contribution of vibrations to the stability of high-entropy ceramics is still controversial. Here the authors computationally integrate disorder parameterization, phonon modelling, and thermodynamic characterization to investigate the role of vib
Externí odkaz:
https://doaj.org/article/0f18d94ef8594c62b33c768d2dda03f9
Autor:
Casper W. Andersen, Rickard Armiento, Evgeny Blokhin, Gareth J. Conduit, Shyam Dwaraknath, Matthew L. Evans, Ádám Fekete, Abhijith Gopakumar, Saulius Gražulis, Andrius Merkys, Fawzi Mohamed, Corey Oses, Giovanni Pizzi, Gian-Marco Rignanese, Markus Scheidgen, Leopold Talirz, Cormac Toher, Donald Winston, Rossella Aversa, Kamal Choudhary, Pauline Colinet, Stefano Curtarolo, Davide Di Stefano, Claudia Draxl, Suleyman Er, Marco Esters, Marco Fornari, Matteo Giantomassi, Marco Govoni, Geoffroy Hautier, Vinay Hegde, Matthew K. Horton, Patrick Huck, Georg Huhs, Jens Hummelshøj, Ankit Kariryaa, Boris Kozinsky, Snehal Kumbhar, Mohan Liu, Nicola Marzari, Andrew J. Morris, Arash A. Mostofi, Kristin A. Persson, Guido Petretto, Thomas Purcell, Francesco Ricci, Frisco Rose, Matthias Scheffler, Daniel Speckhard, Martin Uhrin, Antanas Vaitkus, Pierre Villars, David Waroquiers, Chris Wolverton, Michael Wu, Xiaoyu Yang
Publikováno v:
Scientific Data, Vol 8, Iss 1, Pp 1-10 (2021)
Abstract The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible and interoperable. We outline the first stable release of the s
Externí odkaz:
https://doaj.org/article/195f6a32cdad4e099318119238e9d978
Autor:
Janine George, Guido Petretto, Aakash Naik, Marco Esters, Adam J. Jackson, Ryky Nelson, Richard Dronskowski, Gian‐Marco Rignanese, Geoffroy Hautier
Publikováno v:
ChemPlusChem. 87
Autor:
Marco Esters, Corey Oses, Simon Divilov, Hagen Eckert, Rico Friedrich, David Hicks, Michael J. Mehl, Frisco Rose, Andriy Smolyanyuk, Arrigo Calzolari, Xiomara Campilongo, Cormac Toher, Stefano Curtarolo
Publikováno v:
Computational Materials Science 216(2023), 111808
To enable materials databases supporting computational and experimental research, it is critical to develop platforms that both facilitate access to the data and provide the tools used to generate/analyze it - all while considering the diversity of u
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a0da55db910e480e8852b9a23deaf67d
http://arxiv.org/abs/2207.09842
http://arxiv.org/abs/2207.09842
Autor:
Douglas E. Wolfe, Christopher M. DeSalle, Caillin J. Ryan, Robert E. Slapikas, Ryan T. Sweny, Ryan J. Crealese, Petr A. Kolonin, Sergei P. Stepanoff, Aman Haque, Simon Divilov, Hagen Eckert, Corey Oses, Marco Esters, Donald W. Brenner, William G. Fahrenholtz, Jon-Paul Maria, Cormac Toher, Eva Zurek, Stefano Curtarolo
Publikováno v:
Materialia. 27:101682
Autor:
Marco Esters, Andriy Smolyanyuk, Corey Oses, David Hicks, Simon Divilov, Hagen Eckert, Xiomara Campilongo, Cormac Toher, Stefano Curtarolo
Publikováno v:
Acta Materialia. 245:118594
Disordered materials are attracting considerable attention because of their enhanced properties compared to their ordered analogs, making them particularly suitable for high-temperature applications. The feasibility of incorporating these materials i
Autor:
Corey Oses, Marco Esters, David Hicks, Simon Divilov, Hagen Eckert, Rico Friedrich, Michael J. Mehl, Andriy Smolyanyuk, Xiomara Campilongo, Axel van de Walle, Jan Schroers, A. Gilad Kusne, Ichiro Takeuchi, Eva Zurek, Marco Buongiorno Nardelli, Marco Fornari, Yoav Lederer, Ohad Levy, Cormac Toher, Stefano Curtarolo
Publikováno v:
Eva Zurek
Computational Materials Science 217(2023), 111889
Computational Materials Science 217(2023), 111889
The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades, aflow++ (Automatic-Flow Framework for Materials Discovery) has provide
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9f49a3e8e08dbd1fd53553626b1a113f
Autor:
Michael J. Mehl, Stefano Curtarolo, Mohammad Delower Hossain, Marco Esters, David Hicks, Corey Oses, Michal Jahnátek, Donald W. Brenner, Jon Paul Maria, Cormac Toher
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-11 (2021)
Nature Communications
Nature Communications
High-entropy ceramics are attracting significant interest due to their exceptional chemical stability and physical properties. While configurational entropy descriptors have been successfully implemented to predict their formation and even to discove
Autor:
Eric Gossett, Stefano Curtarolo, Daniel Finkenstadt, Corey Oses, David Hicks, Marco Esters, Andriy Smolyanyuk, Michael J. Mehl, Rico Friedrich, Mateo Ronquillo
Publikováno v:
Physical Review Materials. 5
At ambient pressure tin transforms from its ground-state semi-metal $\alpha$-Sn (diamond structure) phase to the compact metallic $\beta$-Sn phase at 13$^\circ$C (286K). There may be a further transition to the simple hexagonal $\gamma$-Sn above 450K