المؤلفون: Batatia, Ilyes, Benner, Philipp, Chiang, Yuan, Elena, Alin M., Kovács, Dávid P., Riebesell, Janosh, Advincula, Xavier R., Asta, Mark, Avaylon, Matthew, Baldwin, William J., Berger, Fabian, Bernstein, Noam, Bhowmik, Arghya, Blau, Samuel M., Cărare, Vlad, Darby, James P., De, Sandip, Della Pia, Flaviano, Deringer, Volker L., Elijošius, Rokas, El-Machachi, Zakariya, Falcioni, Fabio, Fako, Edvin, Ferrari, Andrea C., Genreith-Schriever, Annalena, George, Janine, Goodall, Rhys E. A., Grey, Clare P., Grigorev, Petr, Han, Shuang, Handley, Will, Heenen, Hendrik H., Hermansson, Kersti, Holm, Christian, Jaafar, Jad, Hofmann, Stephan, Jakob, Konstantin S., Jung, Hyunwook, Kapil, Venkat, Kaplan, Aaron D., Karimitari, Nima, Kermode, James R., Kroupa, Namu, Kullgren, Jolla, Kuner, Matthew C., Kuryla, Domantas, Liepuoniute, Guoda, Margraf, Johannes T., Magdău, Ioan-Bogdan, Michaelides, Angelos, Moore, J. Harry, Naik, Aakash A., Niblett, Samuel P., Norwood, Sam Walton, O'Neill, Niamh, Ortner, Christoph, Persson, Kristin A., Reuter, Karsten, Rosen, Andrew S., Schaaf, Lars L., Schran, Christoph, Shi, Benjamin X., Sivonxay, Eric, Stenczel, Tamás K., Svahn, Viktor, Sutton, Christopher, Swinburne, Thomas D., Tilly, Jules, van der Oord, Cas, Varga-Umbrich, Eszter, Vegge, Tejs, Vondrák, Martin, Wang, Yangshuai, Witt, William C., Zills, Fabian, Csányi, Gábor

مصطلحات موضوعية: Physics - Chemical Physics, Condensed Matter - Materials Science

الوصول الحر: http://arxiv.org/abs/2401.00096Test

المؤلفون: Cockrell, Cillian, Dicks, Oliver, Todorov, Ilian T., Elena, Alin M., Trachenko, Kostya

المصدر: Scientific Reports 13, 15664 (2023)

مصطلحات موضوعية: Condensed Matter - Statistical Mechanics

الوصول الحر: http://arxiv.org/abs/2304.11909Test

المؤلفون: Lora, Alfredo, Patron, Paola, Elena, Alin M, Allan, Neil L, Pinilla Castellanos, Carlos C

المصدر: Lora , A , Patron , P , Elena , A M , Allan , N L & Pinilla Castellanos , C C 2024 , ' Understanding noble gas incorporation in mantle minerals : An atomistic study ' , Scientific Reports . https://doi.org/10.1038/s41598-024-61963-xTest

العلاقة: https://research-information.bris.ac.uk/en/publications/92fab3e0-1ca0-4cae-b7b7-c578cb379ecfTest

الإتاحة: https://doi.org/10.1038/s41598-024-61963-xTest
https://hdl.handle.net/1983/92fab3e0-1ca0-4cae-b7b7-c578cb379ecfTest
https://research-information.bris.ac.uk/en/publications/92fab3e0-1ca0-4cae-b7b7-c578cb379ecfTest

المؤلفون: Scivetti, Ivan, Sen, Kakali, Elena, Alin M., Todorov, Ilian

مصطلحات موضوعية: Physics - Chemical Physics

الوصول الحر: http://arxiv.org/abs/2005.14084Test

المؤلفون: Oliveira, Micael J. T., Papior, Nick, Pouillon, Yann, Blum, Volker, Artacho, Emilio, Caliste, Damien, Corsetti, Fabiano, de Gironcoli, Stefano, Elena, Alin M., Garcia, Alberto, Garcia-Suarez, Victor M., Genovese, Luigi, Huhn, William P., Huhs, Georg, Kokott, Sebastian, Kucukbenli, Emine, Larsen, Ask H., Lazzaro, Alfio, Lebedeva, Irina V., Li, Yingzhou, Lopez-Duran, David, Lopez-Tarifa, Pablo, Luders, Martin, Marques, Miguel A. L., Minar, Jan, Mohr, Stephan, Mostofi, Arash A., O'Cais, Alan, Payne, Mike C., Ruh, Thomas, Smith, Daniel G. A., Soler, Jose M., Strubbe, David A., Tancogne-Dejean, Nicolas, Tildesley, Dominic, Torrent, Marc, Yu, Victor Wen-zhe

مصطلحات موضوعية: Condensed Matter - Materials Science, Physics - Computational Physics

الوصول الحر: http://arxiv.org/abs/2005.05756Test

المؤلفون: Oliveira, Micael JT, Papior, Nick, Pouillon, Yann, Blum, Volker, Artacho, Emilio, Caliste, Damien, Corsetti, Fabiano, de Gironcoli, Stefano, Elena, Alin M, García, Alberto, García-Suárez, Víctor M, Genovese, Luigi, Huhn, William P, Huhs, Georg, Kokott, Sebastian, Küçükbenli, Emine, Larsen, Ask H, Lazzaro, Alfio, Lebedeva, Irina V, Li, Yingzhou, López-Durán, David, López-Tarifa, Pablo, Lüders, Martin, Marques, Miguel AL, Minar, Jan, Mohr, Stephan, Mostofi, Arash A, O’Cais, Alan, Payne, Mike C, Ruh, Thomas, Smith, Daniel GA, Soler, José M, Strubbe, David A, Tancogne-Dejean, Nicolas, Tildesley, Dominic, Torrent, Marc, Yu, Victor Wen-zhe

المصدر: The Journal of Chemical Physics. 153(2)

مصطلحات موضوعية: Networking and Information Technology R&D (NITRD), cond-mat.mtrl-sci, physics.comp-ph, Physical Sciences, Chemical Sciences, Engineering, Chemical Physics

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/7m5193tmTest

المؤلفون: Morton, Katie S.C., Elena, Alin M., Armstrong, Jeff, O’Malley, Alexander J.

المصدر: Morton , K S C , Elena , A M , Armstrong , J & O’Malley , A J 2023 , ' Experimental and Modeling Studies of Local and Nanoscale para-Cresol Behavior : A Comparison of Classical Force Fields ' , Journal of Physical Chemistry A , vol. 127 , no. 15 , pp. 3305-3316 . https://doi.org/10.1021/acs.jpca.2c08022Test , https://doi.org/10.1021/acs.jpca.2c08022Test

مصطلحات موضوعية: /dk/atira/pure/subjectarea/asjc/1600/1606, name=Physical and Theoretical Chemistry

العلاقة: https://researchportal.bath.ac.uk/en/publications/7d8e64ee-eb49-4d9f-9ea8-d145eeedc4faTest

الإتاحة: https://doi.org/10.1021/acs.jpca.2c08022Test
https://researchportal.bath.ac.uk/en/publications/7d8e64ee-eb49-4d9f-9ea8-d145eeedc4faTest
http://www.scopus.com/inward/record.url?scp=85152658805&partnerID=8YFLogxKTest

المؤلفون: Crossley-Lewis, Joe, Dunn, Josh, Buda, Corneliu, Sunley, Glenn J., Elena, Alin M., Todorov, Ilian T., Yong, Chin W., Glowacki, David R., Mulholland, Adrian J., Allan, Neil L.

المساهمون: Engineering and Physical Sciences Research Council, Biotechnology and Biological Sciences Research Council

المصدر: Journal of Molecular Graphics and Modelling ; volume 125, page 108606 ; ISSN 1093-3263

مصطلحات موضوعية: Materials Chemistry, Computer Graphics and Computer-Aided Design, Physical and Theoretical Chemistry, Spectroscopy

الإتاحة: https://doi.org/10.1016/j.jmgm.2023.108606Test
https://api.elsevier.com/content/article/PII:S1093326323002048?httpAccept=text/xmlTest
https://api.elsevier.com/content/article/PII:S1093326323002048?httpAccept=text/plainTest

المؤلفون: Purton, John A.¹ (AUTHOR) john.purton@stfc.ac.uk, Elena, Alin M.¹ (AUTHOR), Teobaldi, Gilberto^2,3 (AUTHOR)

المصدر: Journal of Chemical Physics. 6/7/2022, Vol. 156 Issue 21, p1-11. 11p.

مصطلحات موضوعية: *MONTE Carlo method, *THIN films, *LATTICE constants, *OXIDE coating, *PHASE space, *MOLECULAR dynamics

المؤلفون: Elena, Alin M., Meister, Matthias

مصطلحات موضوعية: Condensed Matter - Other Condensed Matter

الوصول الحر: http://arxiv.org/abs/cond-mat/0504719Test