Zobrazeno 1 - 10
of 1 075
pro vyhledávání: '"Morris, Andrew J"'
In this work we used $\textit{ab-initio}$ random structure searching (AIRSS) to carry out a systematic search for crystalline Na-Ge materials at both 0 and 10 GPa. The high-throughput structural relaxations were accelerated using a machine-learned in
Externí odkaz:
http://arxiv.org/abs/2402.15299
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
Autor:
Pitcairn, Jem, Iliceto, Andrea, Cañadillas-Delgado, Laura, Fabelo, Oscar, Liu, Cheng, Balz, Christian, Weilhard, Andreas, Argent, Stephen P., Morris, Andrew J., Cliffe, Matthew J.
Metal-organic magnets (MOMs), modular magnetic materials where metal atoms are connected by organic linkers, are promising candidates for next-generation quantum technologies. MOMs readily form low-dimensional structures, and so are ideal systems to
Externí odkaz:
http://arxiv.org/abs/2212.09393
Using ab initio dynamical mean-field theory we explore the electronic and magnetic states of layered Li$_x$MnO$_2$ as a function of $x$, the state of charge. Constructing real-space Wannier projections of Kohn-Sham orbitals based on the low-energy su
Externí odkaz:
http://arxiv.org/abs/2209.14682
Weighted quadratic estimates are proved for certain bisectorial firstorder differential operators with bounded measurable coefficients which are (not necessarily pointwise) accretive, on complete manifolds with positive injectivity radius. As compare
Externí odkaz:
http://arxiv.org/abs/2209.11529
By including phonon-assisted transitions within plane-wave DFT methods for calculating the X-ray absorption spectrum (XAS) we obtain the Al K-edge XAS at 300 K for two Al$_2$O$_3$ phases. The 300 K XAS reproduces the pre-edge peak for $\alpha$-Al$_2$
Externí odkaz:
http://arxiv.org/abs/2206.10448
Solvability for non-smooth Schrödinger equations with singular potentials and square integrable data
Autor:
Morris, Andrew J., Turner, Andrew J.
Publikováno v:
In Journal of Functional Analysis 1 January 2025 288(1)
Autor:
Martinez, Genesee J., Kipp, Zachary A., Lee, Wang-Hsin, Bates, Evelyn A., Morris, Andrew J., Marino, Joseph S., Hinds, Terry D., Jr.
Publikováno v:
In Prostaglandins and Other Lipid Mediators August 2024 173
Autor:
Li, Jing, Yang, Liping, Song, Jun, Yan, Baoxiang, Morris, Andrew J., Moseley, Hunter, Flight, Robert, Wang, Chi, Liu, Jinpeng, Weiss, Heidi L., Morris, Edward F., Abdelhamid, Ilyes, Gerl, Mathias J., Melander, Olle, Smyth, Susan, Evers, B. Mark
Publikováno v:
In Atherosclerosis May 2024 392
Autor:
Andersen, Casper W., Armiento, Rickard, Blokhin, Evgeny, Conduit, Gareth J., Dwaraknath, Shyam, Evans, Matthew L., Fekete, Ádám, Gopakumar, Abhijith, Gražulis, Saulius, Merkys, Andrius, Mohamed, Fawzi, Oses, Corey, Pizzi, Giovanni, Rignanese, Gian-Marco, Scheidgen, Markus, Talirz, Leopold, Toher, Cormac, Winston, Donald, Aversa, Rossella, Choudhary, Kamal, Colinet, Pauline, Curtarolo, Stefano, Di Stefano, Davide, Draxl, Claudia, Er, Suleyman, Esters, Marco, Fornari, Marco, Giantomassi, Matteo, Govoni, Marco, Hautier, Geoffroy, Hegde, Vinay, Horton, Matthew K., Huck, Patrick, Huhs, Georg, Hummelshøj, Jens, Kariryaa, Ankit, Kozinsky, Boris, Kumbhar, Snehal, Liu, Mohan, Marzari, Nicola, Morris, Andrew J., Mostofi, Arash, Persson, Kristin A., Petretto, Guido, Purcell, Thomas, Ricci, Francesco, Rose, Frisco, Scheffler, Matthias, Speckhard, Daniel, Uhrin, Martin, Vaitkus, Antanas, Villars, Pierre, Waroquiers, David, Wolverton, Chris, Wu, Michael, Yang, Xiaoyu
Publikováno v:
Sci Data 8, 217 (2021)
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 specificat
Externí odkaz:
http://arxiv.org/abs/2103.02068