Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
openAccess | | 4-feb-2011 | A quantum propagator for path-integral simulations of rigid molecules | Noya, Eva G. CSIC ORCID; Vega, Carlos; McBride, Carl CSIC ORCID | artículo |
openAccess | | 14-sep-2012 | A study of the influence of isotopic substitution on the melting point and temperature of maximum density of water by means of path integral simulations of rigid models | McBride, Carl CSIC ORCID; Aragonés, J. L.; Noya, Eva G. CSIC ORCID; Vega, Carlos | artículo |
openAccess | | 19-oct-2021 | COVID19 Disease Map, a computational knowledge repository of virus–host interaction mechanisms | Ostaszewski, Marek; Niarakis, Anna; Mazein, Alexander; Kuperstein, Inna; Phair, Robert; Orta-Resendiz, Aurelio; Singh, Vidisha; Aghamiri, Sara Sadat; Acencio, Marcio Luis; Glaab, Enrico; Ruepp, Andreas; Schreiber, Falk; Montagud, Arnau; Ponce de León, Miguel; Funahashi, Akira; Hiki, Yusuke; Hiroi, Noriko; Yamada, Takahiro G.; Dräger, Andreas; Renz, Alina; Naveez, Muhammad; Orlic-Milacic, Marija; Bocskei, Zsolt; Messina, Francesco; Börnigen, Daniela; Fergusson, Liam; Conti, Marta; Rameil, Marius; Nakonecnij, Vanessa; Vanhoefer, Jakob; Schmiester, Leonard; Wang, Muying; Senff Ribeiro, Andrea; Ackerman, Emily E.; Shoemaker, Jason E.; Zucker, Jeremy; Oxford, Kristie; Teuton, Jeremy; Kocakaya, Ebru; Summak, Gökçe Yagmu; Hanspers, Kristina; Kutmon, Martina; Coort, Susan; Rothfels, Karen; Eijssen, Lars; Ehrhart, Friederike; Arokia Balaya Rex, Devasahayam; Slenter, Denise; Martens, Marvin; Pham, Nhung; Haw, Robin; Jassal, Bijay; Matthews, Lisa; Shamovsky, Veronic; Stephan, Ralf; Sevilla, Cristoffer; Varusai, Thawfeek; Ravel, Jean-Marie; Fraser, Rupsha; Ortseifen, Vera; Soliman, Sylvain; Marchesi, Silvia; Gawron, Piotr; Smula, Ewa; Heirendt, Laurent; Satagopam, Venkata; Wu, Guanming; Riutta, Anders; Golebiewski, Martin; Owen, Stuart; Goble, Carole; Valdeolivas, Alberto; Hu, Xiaoming; Overall, Rupert W.; Maier, Dieter; Bauch, Angela; Gyori, Benjamin M.; Bachman, John A.; Vega, Carlos; Groues, Valentin; Vázquez, Miguel; Porras, Pablo; Esteban-Medina, Marina CSIC ORCID; Licata, Luana; Iannuccelli, Marta; Sacco, Francesca; Nesterova, Anastasia; Yuryev, Anton; Waard, Anita de; Turei, Denes; Luna, Augustín; Babur, Ozgun; Peña-Chilet, María CSIC ORCID; Rian, Kinza; Helikar, Tomas; Lal Puniya, Bhanwar; Modos, Dezso; Treveil, Agatha; Olbe, Marton; Fobo, Gisela; De Meulder, Bertrand; Ballereau, Stephane; Dugourd, Aurelien; Naldi, Aurelien; Noël, Vincent; Calzone, Laurence; Sander, Chris; Demir, Emek; Korcsmaros, Tamas; Freeman, Tom C.; Montrone, Corinna; Auge, Franck; Beckmann, Jacques S.; Hasenauer, Jan; Wolkenhauer, Olaf; Wilighagen, Egon L .; Pico, Alexander R.; Evelo, Chris T.; Gillespie, Marc E.; Stein, Lincoln D.; Hermjakob, Henning; Brauner, Barbara; D’Eustachio, Peter; Sáez-Rodríguez, Julio; Dopazo, Joaquín CSIC ORCID; Valencia, Alfonso; Kitano, Hiroaki; Barillot, Emmanuel; Auffray, Charles; Balling, Rudi; Schneider, Reinhard; Frishman, Goar; Monraz Gómez, Luis Cristóbal; Somers, Julia; Hoch, Matti; Gupta, Shailendra Kumar; Scheel, Julia; Borlinghaus, Hanna; Czauderna, Tobias | artículo |
openAccess | | 14-jun-2013 | Erratum: A quantum propagator for path-integral simulations of rigid molecules (Journal of Chemical Physics (2011) 134 (054117)) | Noya, Eva G. CSIC ORCID; Vega, Carlos; McBride, Carl CSIC ORCID | corrigenda |
openAccess | | 28-mar-2023 | Estimation of bubble cavitation rates in a symmetrical Lennard-Jones mixture by NVT seeding simulations | Lamas, Cintia P. CSIC ORCID; Sanz, Eduardo; Vega, Carlos; Noya, Eva G. CSIC ORCID | artículo |
openAccess | | 4-abr-2022 | Freezing point depression of salt aqueous solutions using the Madrid-2019 model | Lamas, Cintia P. CSIC ORCID; Vega, Carlos; Noya, Eva G. CSIC ORCID | artículo |
openAccess | | 21-nov-2012 | Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water | Reinhardt, Aleks; Doye, Jonathan P. K.; Noya, Eva G. CSIC ORCID; Vega, Carlos | artículo |
openAccess | | 3-jun-2019 | Nucleation of pseudo hard-spheres and dumbbells at moderate metastabilities: appearance of A15 Frank-Kasper phase at inte | Noya, Eva G. CSIC ORCID; Zubieta, Itziar CSIC; Valzque del Saz, Miguel; Llombart, Pablo CSIC ORCID; Vega, Carlos | póster de congreso |
closedAccess | | 12-oct-2018 | Nucleation of pseudo hard-spheres and dumbbells at moderate metastability: Appearance of A15 Frank-Kasper phase at intermediate elongations | Zubieta, Itziar CSIC; Vázquez del Saz, Miguel; Llombart, Pablo CSIC ORCID; Vega, Carlos; Noya, Eva G. CSIC ORCID | actas de congreso |
openAccess | | 18-nov-2011 | Path integral Monte Carlo simulations for rigid rotors and their application to water | Noya, Eva G. CSIC ORCID; Sese, L. M.; Ramírez, Rafael CSIC ORCID; McBride, Carl CSIC ORCID; Conde, María M.; Vega, Carlos | artículo |
openAccess | | 30-sep-2009 | Quantum effects on the maximum in density of water as described by the TIP4PQ/2005 model | Noya, Eva G. CSIC ORCID; Vega, Carlos; Sesé, Luis M.; Ramírez, Rafael CSIC ORCID | artículo |
openAccess | | 22-may-2012 | The phase diagram of water from quantum simulations | McBride, Carl CSIC ORCID; Noya, Eva G. CSIC ORCID; Aragonés, J. L.; Conde, María M.; Vega, Carlos | artículo |
openAccess | | 28-mar-2023 | The water cavitation line as predicted by the TIP4P/2005 model | Lamas, Cintia P. CSIC ORCID; Vega, Carlos; Noya, Eva G. CSIC ORCID; Sanz, Eduardo | artículo |