Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Frisco Rose"'
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:
David Hicks, Cormac Toher, Denise C. Ford, Frisco Rose, Carlo De Santo, Ohad Levy, Michael J. Mehl, Stefano Curtarolo
Publikováno v:
npj Computational Materials, Vol 7, Iss 1, Pp 1-20 (2021)
Abstract The accelerated growth rate of repository entries in crystallographic databases makes it arduous to identify and classify their prototype structures. The open-source AFLOW-XtalFinder package was developed to solve this problem. It symbolical
Externí odkaz:
https://doaj.org/article/d8001da29b72409fb3015c4384d78227
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:
Carlo De Santo, Cormac Toher, Ohad Levy, Stefano Curtarolo, David Hicks, Denise C. Ford, Michael J. Mehl, Frisco Rose
Publikováno v:
npj Computational Materials, Vol 7, Iss 1, Pp 1-20 (2021)
The accelerated growth rate of repository entries in crystallographic databases makes it arduous to identify and classify their prototype structures. The open-source AFLOW-XtalFinder package was developed to solve this problem. It symbolically maps s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b99e4a4a20145cb34b0c43c058fac75a
Autor:
Cormac Toher, Corey Oses, David Hicks, Eric Gossett, Frisco Rose, Pinku Nath, Demet Usanmaz, Denise C. Ford, Eric Perim, Camilo E. Calderon, Jose J. Plata, Yoav Lederer, Michal Jahnátek, Wahyu Setyawan, Shidong Wang, Junkai Xue, Kevin Rasch, Roman V. Chepulskii, Richard H. Taylor, Geena Gomez, Harvey Shi, Andrew R. Supka, Rabih Al Rahal Al Orabi, Priya Gopal, Frank T. Cerasoli, Laalitha Liyanage, Haihang Wang, Ilaria Siloi, Luis A. Agapito, Chandramouli Nyshadham, Gus L. W Hart, Jesús Carrete, Fleur Legrain, Natalio Mingo, Eva Zurek, Olexandr Isayev, Alexander Tropsha, Stefano Sanvito, Robert M. Hanson, Ichiro Takeuchi, Michael J. Mehl, Aleksey N. Kolmogorov, Kesong Yang, Pino D’Amico, Arrigo Calzolari, Marcio Costa, Riccardo De Gennaro, Marco Buongiorno Nardelli, Marco Fornari, Ohad Levy, Stefano Curtarolo
Publikováno v:
Handbook of Materials Modeling, edited by Andreoni W., Yip S., pp. 1–28, 2018
info:cnr-pdr/source/autori:Cormac Toher, Corey Oses, David Hicks, Eric Gossett, Frisco Rose, Pinku Nath, Demet Usanmaz, Denise C. Ford, Eric Perim, Camilo E. Calderon, Jose J. Plata, Yoav Lederer, Michal Jahnátek, Wahyu Setyawan, Shidong Wang, Junkai Xue, Kevin Rasch, Roman V. Chepulskii, Richard H. Taylor, Geena Gomez, Harvey Shi, Andrew R. Supka, Rabih Al Rahal Al Orabi, Priya Gopal, Frank T. Cerasoli, Laalitha Liyanage, Haihang Wang, Ilaria Siloi, Luis A. Agapito, Chandramouli Nyshadham, Gus L. W Hart, Jesús Carrete, Fleur Legrain, Natalio Mingo, Eva Zurek, Olexandr Isayev, Alexander Tropsha, Stefano Sanvito, Robert M. Hanson, Ichiro Takeuchi, Michael J. Mehl, Aleksey N. Kolmogorov, Kesong Yang, Pino D'Amico, Arrigo Calzolari, Marcio Costa, Riccardo De Gennaro, Marco Buongiorno Nardelli, Marco Fornari, Ohad Levy, and Stefano Curtarolo/titolo:The AFLOW Fleet for Materials Discovery/titolo_volume:Handbook of Materials Modeling/curatori_volume:Andreoni W., Yip S./editore:/anno:2018
Handbook of Materials Modeling ISBN: 9783319429137
info:cnr-pdr/source/autori:Cormac Toher, Corey Oses, David Hicks, Eric Gossett, Frisco Rose, Pinku Nath, Demet Usanmaz, Denise C. Ford, Eric Perim, Camilo E. Calderon, Jose J. Plata, Yoav Lederer, Michal Jahnátek, Wahyu Setyawan, Shidong Wang, Junkai Xue, Kevin Rasch, Roman V. Chepulskii, Richard H. Taylor, Geena Gomez, Harvey Shi, Andrew R. Supka, Rabih Al Rahal Al Orabi, Priya Gopal, Frank T. Cerasoli, Laalitha Liyanage, Haihang Wang, Ilaria Siloi, Luis A. Agapito, Chandramouli Nyshadham, Gus L. W Hart, Jesús Carrete, Fleur Legrain, Natalio Mingo, Eva Zurek, Olexandr Isayev, Alexander Tropsha, Stefano Sanvito, Robert M. Hanson, Ichiro Takeuchi, Michael J. Mehl, Aleksey N. Kolmogorov, Kesong Yang, Pino D'Amico, Arrigo Calzolari, Marcio Costa, Riccardo De Gennaro, Marco Buongiorno Nardelli, Marco Fornari, Ohad Levy, and Stefano Curtarolo/titolo:The AFLOW Fleet for Materials Discovery/titolo_volume:Handbook of Materials Modeling/curatori_volume:Andreoni W., Yip S./editore:/anno:2018
Handbook of Materials Modeling ISBN: 9783319429137
The traditional paradigm for materials discovery has been recently expanded to incorporate substantial data-driven research. With the intent to accelerate the development and the deployment of new technologies, the AFLOW Fleet for computational mater
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1aa1ca4215bebf4d9e4e36b7504b7e77
http://hdl.handle.net/11577/3416498
http://hdl.handle.net/11577/3416498
Autor:
Eric Gossett, Stefano Curtarolo, Frisco Rose, Marco Fornari, Cormac Toher, Corey Oses, Marco Buongiorno Nardelli
Automated computational materials science frameworks rapidly generate large quantities of materials data useful for accelerated materials design. We have extended the data oriented AFLOW-repository API (Application-Program-Interface, as described in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::88c39505c09a2c007169c2ddb88c83e9
http://arxiv.org/abs/1612.05130
http://arxiv.org/abs/1612.05130
Publikováno v:
Scientific Reports
α-synuclein (aS) is a natively unfolded pre-synaptic protein found in all Parkinson's disease patients as the major component of fibrillar plaques. Metal ions, and especially Cu(II), have been demonstrated to accelerate aggregation of aS into fibril
Autor:
Matthias Scheffler, Eric Perim, Ohad Levy, Eric Gossett, Stefano Sanvito, Cormac Toher, Michael J. Mehl, Yoav Lederer, Corey Oses, Ichiro Takeuchi, David Hicks, Frisco Rose, Stefano Curtarolo
Publikováno v:
Journal of Chemical Information and Modeling
$\textit{A priori}$ prediction of phase stability of materials is a challenging practice, requiring knowledge of all energetically-competing structures at formation conditions. Large materials repositories $\unicode{x2014}$ housing properties of both
Autor:
Kesong Yang, Ohad Levy, Cormac Toher, Stefano Curtarolo, Marco Buongiorno Nardelli, Richard H. Taylor, Frisco Rose
Publikováno v:
Computational Materials Science. :178-192
The continued advancement of science depends on shared and reproducible data. In the field of computational materials science and rational materials design this entails the construction of large open databases of materials properties. To this end, an