Zobrazeno 1 - 10
of 7 252
pro vyhledávání: '"Wolverton"'
Searching for technologically promising crystalline materials with desired thermal transport properties requires an electronic level comprehension of interatomic interactions and chemical intuition to uncover the hidden structure-property relationshi
Externí odkaz:
http://arxiv.org/abs/2410.16066
Phonons play a critical role in determining various material properties, but conventional methods for phonon calculations are computationally intensive, limiting their broad applicability. In this study, we present an approach to accelerate high-thro
Externí odkaz:
http://arxiv.org/abs/2407.09674
Autor:
Wei, Lai, Omee, Sadman Sadeed, Dong, Rongzhi, Fu, Nihang, Song, Yuqi, Siriwardane, Edirisuriya M. D., Xu, Meiling, Wolverton, Chris, Hu, Jianjun
Crystal structure prediction (CSP) is now increasingly used in discovering novel materials with applications in diverse industries. However, despite decades of developments and significant progress in this area, there lacks a set of well-defined benc
Externí odkaz:
http://arxiv.org/abs/2407.00733
Autor:
Blades, W. H., Redemann, B. W. Y., Smith, N., Sur, D., Barbieri, M. S., Xie, Y., Lech, S., Anber, E., Taheri, M. L., Wolverton, C., McQueen, T. M., Scully, J. R., Sieradzki, K.
Single-phase multi-principal element alloys (MPEAs) hold promise for improved mechanical properties as a result of multiple operative deformation modes. However, the use of many of these alloys in structural applications is limited as a consequence o
Externí odkaz:
http://arxiv.org/abs/2403.00086
Perovskite oxides have been extensively studied for their wide range of compositions and structures, as well as their valuable properties for various applications. Expanding from single perovskite ABO$_3$ to double perovskite $A_2BB^{\prime}$O$_6$ si
Externí odkaz:
http://arxiv.org/abs/2402.19220
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Autor:
Evans, Matthew L., Bergsma, Johan, Merkys, Andrius, Andersen, Casper W., Andersson, Oskar B., Beltrán, Daniel, Blokhin, Evgeny, Boland, Tara M., Balderas, Rubén Castañeda, Choudhary, Kamal, Díaz, Alberto Díaz, García, Rodrigo Domínguez, Eckert, Hagen, Eimre, Kristjan, Montero, María Elena Fuentes, Krajewski, Adam M., Mortensen, Jens Jørgen, Duarte, José Manuel Nápoles, Pietryga, Jacob, Qi, Ji, Carrillo, Felipe de Jesús Trejo, Vaitkus, Antanas, Yu, Jusong, Zettel, Adam, de Castro, Pedro Baptista, Carlsson, Johan, Cerqueira, Tiago F. T., Divilov, Simon, Hajiyani, Hamidreza, Hanke, Felix, Jose, Kevin, Oses, Corey, Riebesell, Janosh, Schmidt, Jonathan, Winston, Donald, Xie, Christen, Yang, Xiaoyu, Bonella, Sara, Botti, Silvana, Curtarolo, Stefano, Draxl, Claudia, Cobas, Luis Edmundo Fuentes, Hospital, Adam, Liu, Zi-Kui, Marques, Miguel A. L., Marzari, Nicola, Morris, Andrew J., Ong, Shyue Ping, Orozco, Modesto, Persson, Kristin A., Thygesen, Kristian S., Wolverton, Chris, Scheidgen, Markus, Toher, Cormac, Conduit, Gareth J., Pizzi, Giovanni, Gražulis, Saulius, Rignanese, Gian-Marco, Armiento, Rickard
Publikováno v:
Digital Discovery, 2024, 3, 1509-1533
The Open Databases Integration for Materials Design (OPTIMADE) application programming interface (API) empowers users with holistic access to a growing federation of databases, enhancing the accessibility and discoverability of materials and chemical
Externí odkaz:
http://arxiv.org/abs/2402.00572
Echocardiography provides an important tool for clinicians to observe the function of the heart in real time, at low cost, and without harmful radiation. Automated localization and classification of heart valves enables automatic extraction of quanti
Externí odkaz:
http://arxiv.org/abs/2311.00068