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Kovacs, David Peter; Moore, J. Harry; Browning, Nicholas J.; Batatia, Ilyes; Horton, Joshua T.; Pu, Yixuan; Kapil, Venkat; Witt, William C.; Cole, Daniel J.; Csanyi, Gabor Share Save Discovering synthesis targets: general discussionAnker, Andy S.; Aspuru-Guzik, Alan; Bechtel, Tim; Bigi, Filippo; Briling, Ksenia R.; Das, Basita; David, Nicholas; Day, Graeme M.; Deringer, Volker L.; Dyer, Matthew; Eardley-Brunt, Annabel; Evans, Matthew L.; Evans, Rob; Franklin, Barnabas A.; Ganose, Alex M.; George, Janine; Goulding, Mark; Hickey, Niamh; James, Gillian; Kalikadien, Adarsh V.; Kapil, Venkat; Kulik, Heather J.; Kumar, Vishank; Kuttner, Christian; Lam, Erwin; Lederbauer, Magdalena; Lou, Yuchen; Martin, Jennie; Bran, Andres Marulanda; Mathea, Miriam; Pickard, Chris J.; Ruscic, Branko; Ryder, Matthew R.; Gil, Victor Sabanza; Schwaller, Philippe; Segler, Marwin H. S.; Sun, Wenhao; Tanovic, Sara; Treyde, Wojtek; Walsh, Aron; Wu, Ruiqi Share Save Discovering chemical structure: general discussionAspuru-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 discussionAlbornoz, 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 Discovering structure-property correlations: general discussionAnker, Andy S.; Aspuru-Guzik, Alan; Ben Mahmoud, Chiheb; Bennett, Sophie; Briling, Ksenia R.; Changiarath, Arya; Chong, Sanggyu; Collins, Christopher M.; Cooper, Andrew I.; Crusius, Daniel; Darmawan, Kevion K.; Das, Basita; David, Nicholas; Day, Graeme M.; Deringer, Volker L.; Duarte, Fernanda; Eardley-Brunt, Annabel; Evans, Matthew L.; Evans, Rob; Fairlamb, Ian; Franklin, Barnabas A.; Frey, Jeremy; Ganose, Alex M.; Goulding, Mark; Hafizi, Roohollah; Hakkennes, Matthijs; Hickey, Niamh; James, Gillian; Jelfs, Kim E.; Kalikadien, Adarsh V.; Kapil, Venkat; Koczor-Benda, Zsuzsanna; Krammer, Ferdinand; Kulik, Heather J.; Kumar, Vishank; Kuttner, Christian; Lam, Erwin; Lou, Yuchen; Mante, Eltjo; Martin, Jennie; Mroz, Austin M.; Nematiaram, Tahereh; Pare, Charles W. P.; Patra, Sarbani; Proudfoot, James; Ruscic, Branko; Ryder, Matthew R.; Sakaushi, Ken; Sassmannshausen, Joerg; Savoie, Brett M.; Schneider, Nadine; Schwaller, Philippe; Skjelstad, Bastian Bjerkem; Sun, Wenhao; Szczypinski, Filip T.; Torrisi, Steven; Ueltzen, Katharina; Vishnoi, Shubham; Walsh, Aron; Wang, Xinwei; Wilson, Chloe; Wu, Ruiqi; Zeitler, Jakob Share Save Share Save Share Save Share Save Share Save Share Save Share Save i-PI 3.0: A flexible and efficient framework for advanced atomistic simulationsLitman, Yair; Kapil, Venkat; Feldman, Yotam M. Y.; Tisi, Davide; Begusic, Tomislav; Fidanyan, Karen; Fraux, Guillaume; Higer, Jacob; Kellner, Matthias; Li, Tao E.; Pos, Eszter S.; Stocco, Elia; Trenins, George; Hirshberg, Barak; Rossi, Mariana; Ceriotti, Michele Share Save Electrified/charged aqueous interfaces: general discussionAdvincula, Xavier R.; Backus, Ellen H. G.; Bonn, Mischa; Cox, Stephen J.; Diebold, Ulrike; Fellows, Alexander; Finney, Aaron R.; Goel, Gaurav; Hedley, Jonathan; Jiang, Ying; Jin, Di; Kapil, Venkat; Kavokine, Nikita; Klein, Jacob; Laage, Damien; Mohandas, Nandita; Morgenstern, Karina; Mukherjee, Taritra; de la Cruz, Monica Olvera; Orlikowska-Rzeznik, Hanna; Perkin, Susan; Piaggi, Pablo M.; Rodellar, Carlos Gomez; Ryan, Paul; Sayer, Thomas; Seyffertitz, Malina; Shepelenko, Margarita; Sosso, Gabriele C.; Thaemer, Martin; Vilangottunjalil, Aswathi; Walker-Gibbons, Rowan; Wang, Yongkang; Willard, Adam P.; Zhang, Peng Share Save Stochastic and low-scaling techniques: general discussionAlavi, Ali; Allen, Marcus; Atalar, Kemal; Berkelbach, Timothy C.; Booth, George H.; Burton, Hugh G. A.; Chan, Garnet Kin-Lic; Craciunescu, Luca; Danilov, Don; Dobrautz, Werner; Evangelista, Francesco A.; Filip, Maria-Andreea; Giner, Emmanuel; Greene-Diniz, Gabriel; Gruneis, Andreas; Guo, Yang; Harsha, Gaurav; Ibrahim, Basil; Kapil, Venkat; Kats, Daniel; Knowles, Peter J.; Lepetit, Marie-Bernadette; Liao, Ke; Li Manni, Giovanni; Loos, Pierre-Francois; Magnusson, Erika; Marie, Antoine; Mejuto-Zaera, Carlos; Neese, Frank; Nejad, Arman; Neufeld, Verena A.; Pernal, Katarzyna; Plasser, Felix; Prentice, Andrew W.; Ravindran, Visagan; Rehman, Umatur; Reiher, Markus; Schilling, Christian; Scuseria, Gustavo; Shee, James; Shi, Benjamin X.; Szenes, Kalman; Tew, David P.; Thom, Alex J. W.; Wang, Zikuan; Zgid, Dominika; Zhu, Andrew; Zwijnenburg, Martijn A. Share Save 
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