日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Hydrogen Evolution Reaction of Electrodeposited Ni-W Films in Acidic Medium and Performance Optimization Using Machine Learning

酸性介质中电沉积Ni-W薄膜的析氢反应及其基于机器学习的性能优化

de Paz-Castany, Roger; Eiler, Konrad; Nicolenco, Aliona; Lekka, Maria; García-Lecina, Eva; Brunin, Guillaume; Rignanese, Gian-Marco; Waroquiers, David; Collet, Thomas; Hubin, Annick; Pellicer, Eva

Correction: Atomate2: modular workflows for materials science

更正:Atomate2:材料科学的模块化工作流程

Ganose, Alex M; Sahasrabuddhe, Hrushikesh; Asta, Mark; Beck, Kevin; Biswas, Tathagata; Bonkowski, Alexander; Bustamante, Joana; Chen, Xin; Chiang, Yuan; Chrzan, Daryl C; Clary, Jacob; Cohen, Orion A; Ertural, Christina; Gallant, Max C; George, Janine; Gerits, Sophie; Goodall, Rhys E A; Guha, Rishabh D; Hautier, Geoffroy; Horton, Matthew; Inizan, T J; Kaplan, Aaron D; Kingsbury, Ryan S; Kuner, Matthew C; Li, Bryant; Linn, Xavier; McDermott, Matthew J; Mohanakrishnan, Rohith Srinivaas; Naik, Aakash A; Neaton, Jeffrey B; Parmar, Shehan M; Persson, Kristin A; Petretto, Guido; Purcell, Thomas A R; Ricci, Francesco; Rich, Benjamin; Riebesell, Janosh; Rignanese, Gian-Marco; Rosen, Andrew S; Scheffler, Matthias; Schmidt, Jonathan; Shen, Jimmy-Xuan; Sobolev, Andrei; Sundararaman, Ravishankar; Tezak, Cooper; Trinquet, Victor; Varley, Joel B; Vigil-Fowler, Derek; Wang, Duo; Waroquiers, David; Wen, Mingjian; Yang, Han; Zheng, Hui; Zheng, Jiongzhi; Zhu, Zhuoying; Jain, Anubhav

Colossal Strain Tuning of Ferroelectric Transitions in KNbO(3) Thin Films

铌酸钾(3)薄膜中铁电转变的巨应变调控

Hazra, Sankalpa; Schwaigert, Tobias; Ross, Aiden; Lu, Haidong; Saha, Utkarsh; Trinquet, Victor; Akkopru-Akgun, Betul; Gregory, Benjamin Z; Mangu, Anudeep; Sarker, Suchismita; Kuznetsova, Tatiana; Sarker, Saugata; Li, Xin; Barone, Matthew R; Xu, Xiaoshan; Freeland, John W; Engel-Herbert, Roman; Lindenberg, Aaron M; Singer, Andrej; Trolier-McKinstry, Susan; Muller, David A; Rignanese, Gian-Marco; Salmani-Rezaie, Salva; Stoica, Vladimir A; Gruverman, Alexei; Chen, Long-Qing; Schlom, Darrell G; Gopalan, Venkatraman

Second-harmonic generation tensors from high-throughput density-functional perturbation theory

基于高通量密度泛函微扰理论的二次谐波产生张量

Trinquet, Victor; Naccarato, Francesco; Brunin, Guillaume; Petretto, Guido; Wirtz, Ludger; Hautier, Geoffroy; Rignanese, Gian-Marco

Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange

OPTIMADE API在材料发现、设计和数据交换方面的开发和应用

Evans, Matthew L; Bergsma, Johan; Merkys, Andrius; Andersen, Casper W; Andersson, Oskar B; Beltrán, Daniel; Blokhin, Evgeny; Boland, Tara M; Castañeda Balderas, Rubén; Choudhary, Kamal; Díaz Díaz, Alberto; Domínguez García, Rodrigo; Eckert, Hagen; Eimre, Kristjan; Fuentes Montero, María Elena; Krajewski, Adam M; Mortensen, Jens Jørgen; Nápoles Duarte, José Manuel; Pietryga, Jacob; Qi, Ji; Trejo Carrillo, Felipe de Jesús; 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; Fuentes Cobas, Luis Edmundo; 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

Shared metadata for data-centric materials science

面向数据驱动材料科学的共享元数据

Ghiringhelli, Luca M; Baldauf, Carsten; Bereau, Tristan; Brockhauser, Sandor; Carbogno, Christian; Chamanara, Javad; Cozzini, Stefano; Curtarolo, Stefano; Draxl, Claudia; Dwaraknath, Shyam; Fekete, Ádám; Kermode, James; Koch, Christoph T; Kühbach, Markus; Ladines, Alvin Noe; Lambrix, Patrick; Himmer, Maja-Olivia; Levchenko, Sergey V; Oliveira, Micael; Michalchuk, Adam; Miller, Ronald E; Onat, Berk; Pavone, Pasquale; Pizzi, Giovanni; Regler, Benjamin; Rignanese, Gian-Marco; Schaarschmidt, Jörg; Scheidgen, Markus; Schneidewind, Astrid; Sheveleva, Tatyana; Su, Chuanxun; Usvyat, Denis; Valsson, Omar; Wöll, Christof; Scheffler, Matthias

Amorphization mechanism of SrIrO(3) electrocatalyst: How oxygen redox initiates ionic diffusion and structural reorganization

SrIrO(3)电催化剂的非晶化机制:氧氧化还原如何引发离子扩散和结构重组

Wan, Gang; Freeland, John W; Kloppenburg, Jan; Petretto, Guido; Nelson, Jocienne N; Kuo, Ding-Yuan; Sun, Cheng-Jun; Wen, Jianguo; Diulus, J Trey; Herman, Gregory S; Dong, Yongqi; Kou, Ronghui; Sun, Jingying; Chen, Shuo; Shen, Kyle M; Schlom, Darrell G; Rignanese, Gian-Marco; Hautier, Geoffroy; Fong, Dillon D; Feng, Zhenxing; Zhou, Hua; Suntivich, Jin

OPTIMADE, an API for exchanging materials data

OPTIMADE,一个用于交换材料数据的API

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 A; 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

The Limited Predictive Power of the Pauling Rules

鲍林规则的预测能力有限

George, Janine; Waroquiers, David; Di Stefano, Davide; Petretto, Guido; Rignanese, Gian-Marco; Hautier, Geoffroy

Congruency and reactivation aid memory integration through reinstatement of prior knowledge

一致性和重新激活通过恢复先前的知识来帮助记忆整合。

van Kesteren, Marlieke T R; Rignanese, Paul; Gianferrara, Pierre G; Krabbendam, Lydia; Meeter, Martijn