Zobrazeno 1 - 10
of 139
pro vyhledávání: '"Evan J. Reed"'
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-11 (2023)
Abstract Reliably identifying synthesizable inorganic crystalline materials is an unsolved challenge required for realizing autonomous materials discovery. In this work, we develop a deep learning synthesizability model (SynthNN) that leverages the e
Externí odkaz:
https://doaj.org/article/21ccca38f38a4796ac0e1f3c9b3855eb
Autor:
James L. Hart, Lopa Bhatt, Yanbing Zhu, Myung-Geun Han, Elisabeth Bianco, Shunran Li, David J. Hynek, John A. Schneeloch, Yu Tao, Despina Louca, Peijun Guo, Yimei Zhu, Felipe Jornada, Evan J. Reed, Lena F. Kourkoutis, Judy J. Cha
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-9 (2023)
Abstract The layer stacking order in 2D materials strongly affects functional properties and holds promise for next-generation electronic devices. In bulk, octahedral MoTe2 possesses two stacking arrangements, the ferroelectric Weyl semimetal Td phas
Externí odkaz:
https://doaj.org/article/90b58514477d4e1c81a49c6d74822f97
Autor:
Rodrigo Freitas, Evan J. Reed
Publikováno v:
Nature Communications, Vol 11, Iss 1, Pp 1-10 (2020)
Crystallization is a challenging process to model quantitatively. Here the authors use machine learning and atomistic simulations together to uncover the role of the liquid structure on the process of crystallization and derive a predictive kinetic m
Externí odkaz:
https://doaj.org/article/964c406f580d4fc48ff08ec6be350803
Publikováno v:
Nature Communications, Vol 7, Iss 1, Pp 1-8 (2016)
Control of conductivity and optical properties via atomic structure changes is of technological importance in information storage. Here, Li et al.show that electrostatic gating has the potential to drive structural semiconductor-to-semimetal phase tr
Externí odkaz:
https://doaj.org/article/ce5461d144e848a2943f22ccb323a732
Autor:
Yinxing Ma, Jiayu Wan, Xin Xu, Austin D. Sendek, Sarah E. Holmes, Brandi Ransom, Zhelong Jiang, Pu Zhang, Xin Xiao, Wenbo Zhang, Rong Xu, Fang Liu, Yusheng Ye, Emma Kaeli, Evan J. Reed, William C. Chueh, Yi Cui
Publikováno v:
ACS Energy Letters. :2762-2771
Publikováno v:
Transition Metal Oxides for Electrochemical Energy Storage. :393-409
Publikováno v:
Journal of Experimental Biology. 225
Pit vipers detect infrared radiation by means of temperature contrasts created on their pit organ membranes. Signals from pit organs integrate with visual signals in the optic tectum, leading to the conjecture that the facial pits operate as an exten
Autor:
Sathya R. Chitturi, Vivek Thampy, Christopher J. Tassone, Evan J. Reed, Richard C. Walroth, Daniel Ratner, Kevin H. Stone, Mike Dunne
Publikováno v:
Journal of Applied Crystallography
A method is introduced to determine lattice parameters using machine learning. Analysis is presented of the impact of experimental conditions on machine learning prediction, and possibilities for automated unit-cell solution are explored.
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Publikováno v:
MRS Bulletin. 46:1116-1129
We have identified CrOF4 and NbFe3(PO4)6 as candidate cathodes with density functional theory (DFT) calculations which suggest a useful balance of low chemical expansion and gravimetric energy density. Low chemical expansion is a likely requirement f
Autor:
Vincent Dufour-Décieux, Brandi Ransom, Austin D. Sendek, Rodrigo Freitas, Jose Blanchet, Evan J. Reed
Publikováno v:
Journal of chemical theory and computation.
We develop a method to construct temperature-dependent kinetic models of hydrocarbon pyrolysis, based on information from molecular dynamics (MD) simulations of pyrolyzing systems in the high-temperature regime. MD simulations are currently a key too