المؤلفون: Li Manni, Giovanni, Fdez. Galván, Ignacio, Alavi, Ali, Aleotti, Flavia, Aquilante, Francesco, Autschbach, Jochen, Avagliano, Davide, Baiardi, Alberto, Bao, Jie J., Battaglia, Stefano, Birnoschi, Letitia, Blanco-González, Alejandro, Bokarev, Sergey I., Broer, Ria, Cacciari, Roberto, Calio, Paul B., Carlson, Rebecca K., Carvalho Couto, Rafael, Cerdán, Luis, Chibotaru, Liviu F., Chilton, Nicholas F., Church, Jonathan Richard, Conti, Irene, Coriani, Sonia, Cuéllar-Zuquin, Juliana, Daoud, Razan E., Dattani, Nike, Decleva, Piero, de Graaf, Coen, Delcey, Mickael G., De Vico, Luca, Barucha-Dobrautz, Werner, 1987, Dong, Sijia S., Feng, Rulin, Ferré, Nicolas, Filatov(Gulak), Michael, Gagliardi, Laura, Garavelli, Marco, González, Leticia, Guan, Yafu, Guo, Meiyuan, Hennefarth, Matthew R., Hermes, Matthew R., Hoyer, Chad E., Huix-Rotllant, Miquel, Jaiswal, Vishal Kumar, Kaiser, Andy, Kaliakin, Danil S., Khamesian, Marjan, King, Daniel S., Kochetov, Vladislav, Krośnicki, Marek, Kumaar, Arpit Arun, Larsson, Ernst D., Lehtola, Susi, Lepetit, Marie Bernadette, Lischka, Hans, López Ríos, Pablo, Lundberg, Marcus, Ma, Dongxia, Mai, Sebastian, Marquetand, Philipp, Merritt, Isabella C.D., Montorsi, Francesco, Mörchen, Maximilian, Nenov, Artur, Nguyen, Vu Ha Anh, Nishimoto, Yoshio, Oakley, Meagan S., Olivucci, Massimo, Oppel, Markus, Padula, Daniele, Pandharkar, Riddhish, Phung, Quan Manh, Plasser, Felix, Raggi, Gerardo, Rebolini, Elisa, Reiher, Markus, Rivalta, Ivan, Roca-Sanjuán, Daniel, Romig, Thies, Safari, Arta Anushirwan, Sánchez-Mansilla, Aitor, Sand, Andrew M., Schapiro, Igor, Scott, Thais R., Segarra-Martí, Javier, Segatta, Francesco, Sergentu, Dumitru Claudiu, Sharma, Prachi, Shepard, Ron, Shu, Yinan, Staab, Jakob K., Straatsma, Tjerk P., Sørensen, Lasse Kragh, Tenorio, Bruno Nunes Cabral, Truhlar, Donald G., Ungur, Liviu, Vacher, Morgane, Veryazov, Valera

المصدر: Journal of Chemical Theory and Computation. 19(20):6933-6991

وصف الملف: electronic

الوصول الحر: https://research.chalmers.se/publication/536472Test
https://research.chalmers.se/publication/536472/file/536472_Fulltext.pdfTest

المؤلفون: Hosseini, Seyed Mohammadreza, Alavi, Ali, López Ríos, Pablo

المصدر: Journal of Chemical Physics; 5/21/2024, Vol. 160 Issue 19, p1-10, 10p

مصطلحات موضوعية: QUANTUM Monte Carlo method, WAVE functions, SMOOTHNESS of functions, EXTRAPOLATION

المؤلفون: Haupt, J. Philip, Hosseini, Seyed Mohammadreza, López Ríos, Pablo, Barucha-Dobrautz, Werner, 1987, Cohen, Aron J., Alavi, Ali

المصدر: QC-SQUARED Journal of Chemical Physics. 158(22)

وصف الملف: electronic

الوصول الحر: https://research.chalmers.se/publication/536363Test
https://research.chalmers.se/publication/536363/file/536363_Fulltext.pdfTest

المؤلفون: Filippi, Claudia, Alavi, Ali, Pernal, Kasia, Nakano, Kosuke, Posenitskiy, Evgeny, Scemama, Anthony, Pittonet, Sara, Shinde, Ravindra, López Ríos, Pablo, Tenti, Giacomo, Zen, Andrea, Shepard, Stuart

مصطلحات موضوعية: Quantum Monte Carlo, Software, Quantum Mechanical Simulations, exascale, High Performance Computing, NECI, TurboRVB, Quantum Package, QMC=CHEM, CHAMP, GAMMCOR, TREX I/O, QMCkl library

العلاقة: info:eu-repo/grantAgreement/EC/H2020/952165/; https://zenodo.org/communities/trexTest; https://zenodo.org/record/7624691Test; https://doi.org/10.5281/zenodo.7624691Test; oai:zenodo.org:7624691

الإتاحة: https://doi.org/10.5281/zenodo.7624691Test
https://doi.org/10.5281/zenodo.7624690Test
https://zenodo.org/record/7624691Test

المؤلفون: López Ríos, Pablo

مرشدي الرسالة: Littlewood, Peter B. ; Needs, Richard J.

مصطلحات موضوعية: 530, electronic structure, computational physics, continuum quantum monte carlo, diffusion monte carlo, wave function methods, quantum chemistry, total energy methods, monte carlo methods, schroedinger equation

الإتاحة: https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.612886Test

المؤلفون: Christlmaier, Evelin Martine, Schraivogel, Thomas, López Ríos, Pablo, Alavi, Ali, Kats, Daniel

المصدر: Journal of Chemical Physics; 7/7/2023, Vol. 159 Issue 1, p1-12, 12p

مصطلحات موضوعية: QUANTUM correlations, ATOMIZATION

المؤلفون: Schraivogel, Thomas, Christlmaier, Evelin Martine, López Ríos, Pablo, Alavi, Ali, Kats, Daniel

المصدر: Journal of Chemical Physics; 6/7/2023, Vol. 158 Issue 21, p1-7, 7p

مصطلحات موضوعية: MOLECULES

المؤلفون: Hosseini, Seyed Mohammadreza, Alavi, Ali, Lopez Rios, Pablo

مصطلحات موضوعية: Physical sciences, FOS Physical sciences

العلاقة: https://dx.doi.org/10.60893/figshare.jcp.25705749Test; https://dx.doi.org/10.1063/5.0206478Test

الإتاحة: https://doi.org/10.60893/figshare.jcp.25705749.v110.60893/figshare.jcp.2570574910.1063/5.0206478Test
https://aip.figshare.com/articles/dataset/Supplemental_Material/25705749/1Test

المؤلفون: Needs, Richard, Towler, M. D., Drummond, Neil, Lopez Rios, Pablo, Trail, J. R.

وصف الملف: text

العلاقة: https://eprints.lancs.ac.uk/id/eprint/143418/1/casino_jcp.pdfTest; Needs, Richard and Towler, M. D. and Drummond, Neil and Lopez Rios, Pablo and Trail, J. R. (2020) Variational and Diffusion Quantum Monte Carlo Calculations with the CASINO Code. Journal of Chemical Physics, 152 (15): 154106. ISSN 0021-9606

الإتاحة: https://eprints.lancs.ac.uk/id/eprint/143418Test/
https://eprints.lancs.ac.uk/id/eprint/143418/1/casino_jcp.pdfTest

المؤلفون: Monserrat, Bartomeu, Drummond, Neil David, Dalladay-Simpson, Philip, Howie, Ross, Lopez Rios, Pablo, Gregoryanz, Eugene, Pickard, C. J., Needs, Richard

وصف الملف: application/pdf

العلاقة: https://eprints.lancs.ac.uk/id/eprint/125973/1/1806.03025.pdfTest; Monserrat, Bartomeu and Drummond, Neil David and Dalladay-Simpson, Philip and Howie, Ross and Lopez Rios, Pablo and Gregoryanz, Eugene and Pickard, C. J. and Needs, Richard (2018) Structure and metallicity of phase V of hydrogen. Physical review letters, 120 (25). ISSN 1079-7114

الإتاحة: https://doi.org/10.1103/PhysRevLett.120.255701Test
https://eprints.lancs.ac.uk/id/eprint/125973Test/
https://eprints.lancs.ac.uk/id/eprint/125973/1/1806.03025.pdfTest