Browsing Publikační činnost Úseku superpočítačových služeb / Publications of Supercomputining Services (96300) by Title

Now showing items 3-8 of 8

  • Orbital localization using fourth central moment minimization 

    Høyvik, Ida-Marie; Jansík, Branislav; Jørgensen, Poul (The Journal of Chemical Physics. 2012, vol. 137, issue 22, art. no. 224114.)

  • Photodissociation of medium-sized argon cluster cations in the visible region 

    Stachoň, Martin; Vítek, Aleš; Kalus, René (Physical Chemistry Chemical Physics. 2015, vol. 17, issue 48, p. 32413-32424.)

  • Pipek–Mezey localization of occupied and virtual orbitals 

    Høyvik, Ida-Marie; Jansík, Branislav; Jørgensen, Poul (Journal of Computational Chemistry. 2013, vol. 34, issue 17, p. 1456-1462.)

  • Random neural network model for supervised learning problems 

    Basterrech, Sebastián; Rubino, Gerardo (Neural Network World. 2015, vol. 25, issue 5, p. 457-499.)

  • The Dalton quantum chemistry program system 

    Aidas, Kestutis; Angeli, Celestino; Bak, Keld L.; Bakken, Vebjørn; Bast, Radovan; Boman, Linus; Christiansen, Ove; Cimiraglia, Renzo; Coriani, Sonia; Dahle, Pal; Dalskov, Erik K.; Ekström, Ulf; Enevoldsen, Thomas; Eriksen, Janus J.; Ettenhuber, Patrick; Fernández, Berta; Ferrighi, Lara; Fliegl, Heike; Frediani, Luca; Hald, Kasper; Halkier, Asger; Hättig, Christof; Heiberg, Hanne; Helgaker, Trygve; Hennum, Alf Christian; Hettema, Hinne; Hjertenæs, Eirik; Høst, Stinne; Høyvik, Ida-Marie; Iozzi, Maria Francesca; Jansík, Branislav; Jensen, Hans Jørgen Aa.; Jonsson, Dan; Jørgensen, Poul; Kauczor, Joanna; Kirpekar, Sheela; Kjærgaard, Thomas; Klopper, Wim; Knecht, Stefan; Kobayashi, Rika; Koch, Henrik; Kongsted, Jacob; Krapp, Andreas; Kristensen, Kasper; Ligabue, Andrea; Lutnæs, Ola B.; Melo, Juan I.; Mikkelsen, Kurt V.; Myhre, Rolf H.; Neiss, Christian; Nielsen, Christian B.; Norman, Patrick; Olsen, Jeppe; Olsen, Jógvan Magnus H.; Osted, Anders; Packer, Martin J.; Pawlowski, Filip; Pedersen, Thomas B.; Provasi, Patricio F.; Reine, Simen; Rinkevicius, Zilvinas; Ruden, Torgeir A.; Ruud, Kenneth; Rybkin, Vladimir V.; Sałek, Pawel; Samson, Claire C. M.; Sanchez de Merás, Alfredo; Saue, Trond; Sauer, Stephan P. A.; Schimmelpfennig, Bernd; Sneskov, Kristian; Steindal, Arnfinn H.; Sylvester-Hvid, Kristian O.; Taylor, Peter R.; Teale, Andrew M.; Tellgren, Erik I.; Tew, David P.; Thorvaldsen, Andreas J.; Thøgersen, Lea; Vahtras, Olav; Watson, Mark A.; Wilson, David J. D.; Ziolkowski, Marcin; Ågren, Hans (Wiley Interdisciplinary Reviews: Computational Molecular Science. 2014, vol. 4, issue 3, p. 269-284.)

  • The divide–expand–consolidate MP2 scheme goes massively parallel 

    Kristensen, Kasper; Kjærgaard, Thomas; Høyvik, Ida-Marie; Ettenhuber, Patrick; Jørgensen, Poul; Jansík, Branislav; Reine, Simen; Jakowski, Jacek (Molecular Physics. 2013, vol. 111, issue 9-11, p. 1196-1210.)