Not logged in The 2025 roadmap to ultrafast dynamics: frontiers of theoretical and computational modeling Caruso, Fabio; Sentef, Michael A.; Attaccalite, Claudio; Bonitz, Michael; Draxl, Claudia; De Giovannini, Umberto; Eckstein, Martin; Ernstorfer, Ralph; Fechner, Michael; Gruning, Myrta; Hubener, Hannes; Joost, Jan-Philip; Juraschek, Dominik M.; Karrasch, Christoph; Kennes, Dante Marvin; Latini, Simone; Lu, I-Te; Neufeld, Ofer; Perfetto, Enrico; Rettig, Laurenz; Pela, Ronaldo Rodrigues; Rubio, Angel; Rudzinski, Joseph F.; Ruggenthaler, Michael; Sangalli, Davide; Schuler, Michael; Shallcross, Samuel; Sharma, Sangeeta; Stefanucci, Gianluca; Werner, Philipp Share Save
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Precision benchmarks for solids: G0W0 calculations with different basis sets Azizi, Maryam; Delesma, Francisco A.; Giantomassi, Matteo; Zavickis, Davis; Kuisma, Mikael; Thyghesen, Kristian; Golze, Dorothea; Buccheri, Alexander; Zhang, Min-Ye; Rinke, Patrick; Draxl, Claudia; Gulans, Andris; Gonze, Xavier Share Save
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Discovering chemical structure: general discussion Aspuru-Guzik, Alan; Bechtel, Tim; Bernales, Varinia; Biggin, Philip C.; Bigi, Filippo; Borges Jr, Itamar; Briling, Ksenia R.; Cheung, Joshua; Collins, Christopher M.; Darmawan, Kevion K.; David, Nicholas; Day, Graeme M.; Deringer, Volker L.; Draxl, Claudia; Dyer, Matthew; Eardley-Brunt, Annabel; Evans, Rob; Fairlamb, Ian; Franklin, Barnabas A.; George, Janine; Goulding, Mark; Grundy, Joanna; Hafizi, Roohollah; Hakkennes, Matthijs; Hickey, Niamh; James, Gillian; Juraskova, Veronika; Kalikadien, Adarsh V.; Kapil, Venkat; Kulik, Heather J.; Kumar, Vishank; Kuttner, Christian; Lederbauer, Magdalena; Lou, Yuchen; Mante, Eltjo; Marsh, Liam; Martin, Jennie; Middleton, Clelia; Nematiaram, Tahereh; Pare, Charles W. P.; Pasca, Bianca; Pickard, Chris J.; Ruscic, Branko; Ryder, Matthew R.; Savoie, Brett M.; Sun, Wenhao; Szczypinski, Filip T.; Taniguchi, Takuya; Torrisi, Steven; Vishnoi, Shubham; Walsh, Aron; Wang, Shirui Share Save
Discovering trends in big data: general discussion Albornoz, Ricardo Valencia; Antypov, Dmytro; Blanke, Gerd; Borges Jr, Itamar; Bran, Andres Marulanda; Cheung, Joshua; Collins, Christopher M.; David, Nicholas; Day, Graeme M.; Deringer, Volker L.; Draxl, Claudia; Eardley-Brunt, Annabel; Evans, Matthew L.; Fairlamb, Ian; Fieseler, Kate; Franklin, Barnabas A.; George, Janine; Grundy, Joanna; Johal, Jay; Kalikadien, Adarsh V.; Kapil, Venkat; Kotopanov, Lyubomir; Kumar, Vishank; Kuttner, Christian; Lederbauer, Magdalena; Ojeda-Porras, Andrea Carolina; Pang, Jiayun; Parkes, Michael; Pemberton, Miles; Ruscic, Branko; Ryder, Matthew R.; Sakaushi, Ken; Saleh, Gabriele; Savoie, Brett M.; Schwaller, Philippe; Skjelstad, Bastian Bjerkem; Sun, Wenhao; Taniguchi, Takuya; Taylor, Christopher R.; Torrisi, Steven; Vishnoi, Shubham; Walsh, Aron; Wu, Ruiqi Share Save
Decoupling many-body interactions in the CeO2(111) oxygen vacancy structure with statistical learning and cluster expansion Zhang, Yujing; Han, Zhong-Kang; Zhu, Beien; Hu, Xiaojuan; Troppenz, Maria; Rigamonti, Santiago; Li, Hui; Draxl, Claudia; Ganduglia-Pirovano, M. Veronica; Gao, Yi Share Save
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Polar discontinuity governs surface segregation and interface termination: A case study of LaInO3/BaSnO3 Zupancic, Martina; Aggoune, Wahib; Gloter, Alexandre; Hoffmann, Georg; Schmidt, Franz -Philipp; Galazka, Zbigniew; Pfuetzenreuter, Daniel; Riaz, Aysha A.; Schlueter, Christoph; Amari, Houari; Regoutz, Anna; Schwarzkopf, Jutta; Lunkenbein, Thomas; Bierwagen, Oliver; Draxl, Claudia; Albrecht, Martin Share Save
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Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds Meng, Fanchen; Maurer, Benedikt; Peschel, Fabian; Selcuk, Sencer; Hybertsen, Mark; Qu, Xiaohui; Vorwerk, Christian; Draxl, Claudia; Vinson, John; Lu, Deyu Share Save
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange Evans, Matthew L.; Bergsma, Johan; Merkys, Andrius; Andersen, Casper W.; Andersson, Oskar B.; Beltran, Daniel; Blokhin, Evgeny; Boland, Tara M.; Castaneda Balderas, Ruben; Choudhary, Kamal; Diaz Diaz, Alberto; Dominguez Garcia, Rodrigo; Eckert, Hagen; Eimre, Kristjan; Fuentes Montero, Maria Elena; Krajewski, Adam M.; Mortensen, Jens Jorgen; Napoles Duarte, Jose Manuel; Pietryga, Jacob; Qi, Ji; Trejo Carrillo, Felipe de Jesus; 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; Grazulis, Saulius; Rignanese, Gian-Marco; Armiento, Rickard Share Save
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