Zobrazeno 1 - 10
of 28
pro vyhledávání: '"Zachary T. Trautt"'
Autor:
Houlong L. Zhuang, Vinit Sharma, Kamal Choudhary, Brian L. DeCost, Ruth Pachter, Andrew C. E. Reid, Albert V. Davydov, Evan J. Reed, Sergei V. Kalinin, Pinar Acar, Jason R. Hattrick-Simpers, Gowoon Cheon, Ankit Agrawal, David Vanderbilt, A. Gilad Kusne, Subhasish Mandal, Francesca Tavazza, Ghanshyam Pilania, Zachary T. Trautt, Kevin F. Garrity, Jie Jiang, Angela R. Hight Walker, Karin M. Rabe, Kristjan Haule, Andrea Centrone, Bobby G. Sumpter, Adam J. Biacchi, Xiaofeng Qian
Publikováno v:
npj Computational Materials, Vol 6, Iss 1, Pp 1-13 (2020)
The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) tech
In the past decade, numerous public and private sector documents have highlighted the need for materials data to facilitate advanced technologies in myriad industrial and economic sectors. These documents have been analyzed to identify prevalent gaps
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a3354dda2d783a511467a62a405ab19f
https://doi.org/10.6028/nist.ir.8364
https://doi.org/10.6028/nist.ir.8364
Autor:
Aaron Gilad Kusne, Zachary T. Trautt, Martin L. Green, Eva M. Campo, Jason R. Hattrick-Simpers, Brian L. DeCost
Publikováno v:
Mach Learn Sci Technol
Recently there has been an ever-increasing trend in the use of machine learning (ML) and artificial intelligence (AI) methods by the materials science, condensed matter physics, and chemistry communities. This perspective article identifies key scien
Autor:
Sara C. Barron, Feng Yi, Jason R. Hattrick-Simpers, Andriy Zakutayev, A. Gilad Kusne, Ichiro Takeuchi, Apurva Mehta, Zachary T. Trautt, Nam Nguyen, Caleb Phillips, John D. Perkins, Kamal Choudhary, Brian L. DeCost, Martin L. Green
Publikováno v:
ACS combinatorial science. 21(5)
High-throughput experimental (HTE) techniques are an increasingly important way to accelerate the rate of materials research and development for many technological applications. However, there are very few publications on the reproducibility of the H
Autor:
Mary Brady, Pierre-François Rigodiat, Sharief Youssef, James A. Warren, Alden A. Dima, Guillaume Sousa Amaral, Xavier Schmitt, Robert J. Hanisch, Zachary T. Trautt, Marcus W Newrock, Adele P. Peskin, Shengyen Li, Philippe Dessauw, Raymond Plante, Ursula R. Kattner, Kenneth Kroenlein, Carelyn E. Campbell, Sunil Bhaskarla, Chandler A. Becker
Publikováno v:
JOM. 68:2053-2064
A materials data infrastructure that enables the sharing and transformation of a wide range of materials data is an essential part of achieving the goals of the Materials Genome Initiative. We describe two high-level requirements of such an infrastru
Autor:
Francesca Tavazza, Faical Y. Congo, Zachary T. Trautt, Marcus W Newrock, Sugata Chowdhury, Andrew C. E. Reid, Qin Zhang, Nhan Van Nguyen, Kamal Choudhary
Publikováno v:
Scientific Data
We perform high-throughput density functional theory (DFT) calculations for optoelectronic properties (electronic bandgap and frequency dependent dielectric function) using the OptB88vdW functional (OPT) and the Tran-Blaha modified Becke Johnson pote
Autor:
J. Van Duren, John M. Gregoire, S. Empedocles, Jason R. Hattrick-Simpers, Joshua Martin, Kristin A. Persson, Martin L. Green, A. M. Joshi, Andriy Zakutayev, S. C. Barron, Ichiro Takeuchi, C. L. Choi, Eva M. Campo, T. Chiang, Aaron Gilad Kusne, Apurva Mehta, Zachary T. Trautt
The Materials Genome Initiative, a national effort to introduce new materials into the market faster and at lower cost, has made significant progress in computational simulation and modeling of materials. To build on this progress, a large amount of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::12b3666b5366358634a861be2e6de75b
https://resolver.caltech.edu/CaltechAUTHORS:20170616-160215339
https://resolver.caltech.edu/CaltechAUTHORS:20170616-160215339
Autor:
Yuri Mishin, Zachary T. Trautt
Publikováno v:
Acta Materialia. 65:19-31
We report on molecular dynamics (MD) simulations of a tricrystal composed of a cylindrical grain embedded at the center of a plane grain boundary (GB). The embedded grain shrinks by capillary forces and eventually vanishes. This process is often acco
Publikováno v:
Current Opinion in Solid State and Materials Science. 17:277-283
Atomistic simulations are increasingly important in scientific and engineering applications. However, the chosen force field affects the simulation results, sometimes significantly. In this paper, we give some examples of this dependence and outline
Publikováno v:
Acta Materialia. 60:6528-6546
Previous simulation and experimental studies have shown that some grain boundaries (GBs) can couple to applied shear stresses and be moved by them, producing shear deformation of the lattice traversed by their motion. While this coupling effect has b