Large-Scale Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Methods von Fosso-Tande, Jacob, Nguyen, Truong-Son, Gidofalvi, Gergely, DePrince, A. Eugene

Volltext

MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation von Harrison, Robert J., Beylkin, Gregory, Bischoff, Florian A., Calvin, Justus A., Fann, George I., Fosso-Tande, Jacob, Galindo, Diego, Hammond, Jeff R., Hartman-Baker, Rebecca, Hill, Judith C., Jia, Jun, Kottmann, Jakob S., Yvonne Ou, M-J., Pei, Junchen, Ratcliff, Laura E., Reuter, Matthew G., Richie-Halford, Adam C., Romero, Nichols A., Sekino, Hideo, Shelton, William A., Sundahl, Bryan E., Thornton, W. Scott, Valeev, Edward F., Vázquez-Mayagoitia, Álvaro, Vence, Nicholas, Yanai, Takeshi, Yokoi, Yukina

Volltext

Implicit solvation models in a multiresolution multiwavelet basis von Fosso-Tande, Jacob, Harrison, Robert J.

Volltext

Model Assessment and Simulation of Lipid-Protein Interactions von Hills Jr, Ronald D., Fosso-Tande, Jacob, Black, Cody

Volltext

Confinement effects of solvation on a molecule physisorbed on a polarizable continuum particle von Fosso-Tande, Jacob, Harrison, Robert J.

Volltext

Simulation of lipid-protein interactions with the CgProt force field von Fosso-Tande, Jacob, Black, Cody, G. Aller, Stephen, Lu, Lanyuan, D. Hills Jr, Ronald

Volltext

MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation von Harrison, Robert J., Beylkin, Gregory, Bischoff, Florian A., Calvin, Justus A., Fann, George I., Fosso-Tande, Jacob, Galindo, Diego, Hammond, Jeff R., Hartman-Baker, Rebecca, Hill, Judith C., Jia, Jun, Kottmann, Jakob S., Yvonne Ou, M-J., Pei, Junchen, Ratcliff, Laura E., Reuter, Matthew G., Richie-Halford, Adam C., Romero, Nichols A., Sekino, Hideo, Shelton, William A., Sundahl, Bryan E., Thornton, W. Scott, Valeev, Edward F., Vázquez-Mayagoitia, Álvaro, Vence, Nicholas, Yanai, Takeshi, Yokoi, Yukina

Volltext

Workflows Community Summit 2024: Future Trends and Challenges in Scientific Workflows von Bard, Deborah, Chard, Kyle, de Witt, Shaun, Foster, Ian T, Gibbs, Tom, Goble, Carole, Godoy, William, Gustafsson, Johan, Utz-Uwe Haus, Hudson, Stephen, Jha, Shantenu, Los, Laila, Paine, Drew, Suter, Frédéric, Wilkinson, Sean, Amaris, Marcos, Babuji, Yadu, Bader, Jonathan, Balin, Riccardo, Balouek, Daniel, Beecroft, Sarah, Belhajjame, Khalid, Bhattarai, Rajat, Brewer, Wes, Brunk, Paul, Caino-Lores, Silvina, Casanova, Henri, Cassol, Daniela, Coleman, Jared, Coleman, Taina, Colonnelli, Iacopo, Da Silva, Anderson Andrei, de Oliveira, Daniel, Elahi, Pascal, Elwasif, Wael, Etz, Brian, Fahringer, Thomas, Ferreira, Wesley, Filgueira, Rosa, Jacob Fosso Tande, Gadelha, Luiz, Gallo, Andy, Garijo, Daniel, Georgiou, Yiannis, Grubel, Patricia, Gueroudji, Amal, Guilloteau, Quentin, Hamalainen, Carlo, Rolando Hong Enriquez, Huet, Lauren, Kevin Hunter Kesling, Jahangiri, Shiva, Janssen, Jan, Jordan, Joe, Sehrish Kanwal, Lehmann, Fabian, Leser, Ulf, Chen, Li, Liu, Peini, Luettgau, Jakob, Lupat, Richard, Fernandez, Jose M, Maheshwari, Ketan, Malik, Tanu, Matsuda, Motohiko, Medic, Doriana, Mohammadi, Somayeh, Mulone, Alberto, Ng, Kin Wai, Noelp, Klaus, Prout, Ryan, Crusoe, Michael R, Ristov, Sashko, Robila, Stefan, Rosendo, Daniel, Rowell, Billy, Rybicki, Jedrzej, Sanchez, Hector, Nishant Saurabh, Saurav, Sumit Kumar, Scogland, Tom, Senanayake, Dinindu, Shin, Woong, Sirvent, Raul, Skluzacek, Tyler, Sly-Delgado, Barry, Soiland-Reyes, Stian, Souza, Abel, Souza, Renan, Talia, Domenico, Tallent, Nathan, Thamsen, Lauritz, Titov, Mikhail, Vahi, Karan, Vartina, Edite, Wang, Yuandou, Wouters, Merridee, Yu, Qi, Ziad Al Bkhetan, Mahnoor Zulfiqar

Volltext

Workflows Community Summit 2024: Future Trends and Challenges in Scientific Workflows von Ferreira da Silva, Rafael, Bard, Deborah, Foster, Ian T., Gibbs, Tom, Goble, Carole, Godoy, William, Gustafsson, Johan, Haus, Utz-Uwe, Hudson, Stephen, Jha, Shantenu, Los, Laila, Paine, Drew, Suter, Frédéric, Ward, Logan, Wilkinson, Sean, Amaris, Marcos, Babuji, Yadu, Bader, Jonathan, Balin, Riccardo, Beecroft, Sarah, Belhajjame, Khalid, Brunk, Paul, Caino-Lores, Silvina, Casanova, Henri, Cassol, Daniela, Coleman, Jared, Coleman, Taina, Colonnelli, Iacopo, Da Silva, Anderson Andrei, de Oliveira, Daniel, Elahi, Pascal, Elfaramawy, Nour, Elwasif, Wael, Etz, Brian, Fahringer, Thomas, Ferreira, Wesley, Filgueira, Rosa, Fosso Tande, Jacob, Gadelha, Luiz, Gallo, Andy, Garijo, Daniel, Georgiou, Yiannis, Gritsch, Philipp, Grubel, Patricia, Gueroudji, Amal, Guilloteau, Quentin, Hamalainen, Carlo, Hong Enriquez, Rolando, Huet, Lauren, Hunter Kesling, Kevin, Iborra, Paula, Jahangiri, Shiva, Janssen, Jan, Jordan, Joe, Kanwal, Sehrish, Lehmann, Fabian, Leser, Ulf, Li, Chen, Liu, Peini, Luettgau, Jakob, Lupat, Richard, M. Fernandez, Jose, Maheshwari, Ketan, Malik, Tanu, Marquez, Jack, Matsuda, Motohiko, Mohammadi, Somayeh, Mulone, Alberto, Ng, Kin Wai, Noelp, Klaus, P. Kinoshita, Bruno, Prout, Ryan, R. Crusoe, Michael, Ristov, Sashko, Robila, Stefan, Rosendo, Daniel, Rowell, Billy, Rybicki, Jedrzej, Sanchez, Hector, Saurabh, Nishant, Saurav, Sumit Kumar, Scogland, Tom, Senanayake, Dinindu, Shin, Woong, Sirvent, Raul, Skluzacek, Tyler, Sly-Delgado, Barry, Soiland-Reyes, Stian, Souza, Abel, Souza, Renan, Talia, Domenico, Tallent, Nathan, Thamsen, Lauritz, Titov, Mikhail, Vahi, Karan, Vartina, Edite, Wouters, Merridee, Yu, Qi, Al Bkhetan, Ziad, Zulfiqar, Mahnoor

Volltext bestellen

MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation von Harrison, Robert J, Beylkin, Gregory, Bischoff, Florian A, Calvin, Justus A, Fann, George I, Fosso-Tande, Jacob, Galindo, Diego, Hammond, Jeff R, Hartman-Baker, Rebecca, Hill, Judith C, Jia, Jun, Kottmann, Jakob S, M-J, Yvonne Ou, Ratcliff, Laura E, Reuter, Matthew G, Richie-Halford, Adam C, Romero, Nichols A, Sekino, Hideo, Shelton, William A, Sundahl, Bryan E, Thornton, W Scott, Valeev, Edward F, Vázquez-Mayagoitia, Álvaro, Vence, Nicholas, Yokoi, Yukina

Volltext