Not logged inBayBE: a Bayesian Back End for experimental planning in the low-to-no-data regime
Fitzner, Martin; Sosic, Adrian; Hopp, Alexander V.; Mueller, Marcel; Rihana, Rim; Hrovatin, Karin; Liebig, Fabian; Winkel, Mathias; Halter, Wolfgang; Brandenburg, Jan Gerit .png)
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SaveShare Save Share Save Share Save Share Save Share Save Share Save New density-functional approximations and beyond: general discussionBrandenburg, Jan Gerit; Burke, Kieron; Cancio, Antonio; Erhard, Jannis; Fromager, Emmanuel; Ghosal, Abhisek; Gidopoulos, Nikitas; Gori-Giorgi, Paola; Helgaker, Trygve; Hourahine, Ben; Jacob, Christoph R.; Kooi, Derk; Maitra, Neepa; Mulay, Manasi R.; Pernal, Katarzyna; Pribram-Jones, Aurora; Reining, Lucia; Romaniello, Pina; Ryder, Matthew R.; Savin, Andreas; Skylaris, Chris-Kriton; Teale, Andrew M.; Tozer, David; Truhlar, Donald G.; Yang, Weitao Share Save Share Save Challenges for large scale simulation: general discussionBrandenburg, Jan Gerit; Burke, Kieron; Civalleri, Bartolomeo; Cole, Daniel J.; Csanyi, Gabor; David, Gregoire; Gidopoulos, Nikitas I.; Gowland, Duncan; Helgaker, Trygve; Herbst, Michael F.; Hourahine, Ben; Irons, Tom J. P.; Jacob, Christoph R.; Loos, Pierre-Francois; Mehta, Nisha; Mulay, Manasi R.; Neugebauer, Johannes; Pernal, Katarzyna; Pribram-Jones, Aurora; Romaniello, Pina; Ryder, Matthew R.; Savin, Andreas; Sirbu, Dumitru; Skylaris, Chris-Kriton; Truhlar, Donald G.; Wetherell, Jack; Yang, Weitao Share Save New approaches to study excited states in density functional theory: general discussionBrandenburg, Jan Gerit; Burke, Kieron; Fromager, Emmanuel; Gatti, Matteo; Giarrusso, Sara; Gidopoulos, Nikitas I.; Gori-Giorgi, Paola; Gowland, Duncan; Helgaker, Trygve; Hodgson, Matthew J. P.; Lacombe, Lionel; Levi, Gianluca; Loos, Pierre-Francois; Maitra, Neepa T.; Maurina Morais, Eduardo; Mehta, Nisha; Monti, Filippo; Mulay, Manasi R.; Pernal, Katarzyna; Reining, Lucia; Romaniello, Pina; Ryder, Matthew R.; Savin, Andreas; Sirbu, Dumitru; Teale, Andrew M.; Thom, Alex J. W.; Truhlar, Donald G.; Wetherell, Jack; Yang, Weitao Share Save Share Save Share Save Share Save Share Save Share Save Share Save Share Save Solid state frustrated Lewis pair chemistryWang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkoetter, Melanie; Wiegand, Thomas; Wuebker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard Share Save Crystal structure evaluation: calculating relative stabilities and other criteria: general discussionAddicoat, Matthew; Adjiman, Claire S.; Arhangelskis, Mihails; Beran, Gregory J. O.; Bowskill, David; Brandenburg, Jan Gerit; Braun, Doris E.; Burger, Virginia; Cole, Jason; Cruz-Cabeza, Aurora J.; Day, Graeme M.; Deringer, Volker L.; Guo, Rui; Hare, Alan; Helfferich, Julian; Hoja, Johannes; Iuzzolino, Luca; Jobbins, Samuel; Marom, Noa; McKay, David; Mitchell, John B. O.; Mohamed, Sharmarke; Neumann, Marcus; Lill, Sten Nilsson; Nyman, Jonas; Oganov, Artem R.; Piaggi, Pablo; Price, Sarah L.; Reutzel-Edens, Susan; Rietveld, Ivo; Ruggiero, Michael; Ryder, Matthew R.; Sastre, German; Schon, J. Christian; Taylor, Christopher; Tkatchenko, Alexandre; Tsuzuki, Seiji; van den Ende, Joost; Woodley, Scott M.; Woollam, Grahame; Zhu, Qiang Share Save 
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