المؤلفون: Agosta, Lorenzo, Hermansson, Kersti, Dzugutov, Mikhail

مصطلحات موضوعية: Condensed Matter - Soft Condensed Matter, Condensed Matter - Mesoscale and Nanoscale Physics, Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2412.03726

المؤلفون: Weinreich, Jan, Karandashev, Konstantin, Arrieta, Daniel Jose Arismendi, Hermansson, Kersti, von Lilienfeld, O. Anatole

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2411.00994

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

URL الوصول: http://arxiv.org/abs/2401.00096

المؤلفون: Agosta, Lorenzo, Fiore, Luca, Colozza, Noemi, Pérez-Ropero, Guillermo, Lyubartsev, Alexander, Arduini, Fabiana, Hermansson, Kersti, Professor

المصدر: Langmuir. 40(23):12009-12016

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-540941
https://doi.org/10.1021/acs.langmuir.4c00604
https://uu.diva-portal.org/smash/get/diva2:1907657/FULLTEXT01.pdf

المؤلفون: Romero, José, Limão-Vieira, Paulo, Hermansson, Kersti, Professor, Probst, Michael

المصدر: eSSENCE – An eScience Collaboration Journal of Physical Chemistry A. 128(6):1163-1172

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-524315
https://doi.org/10.1021/acs.jpca.3c06724
https://uu.diva-portal.org/smash/get/diva2:1842629/FULLTEXT01.pdf

المؤلفون: Agosta, Lorenzo, Dzugutov, Mikhail, Briels, Wim, Hermansson, Kersti

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

URL الوصول: http://arxiv.org/abs/2311.00329

المؤلفون: Heinen, Stefan, Khan, Danish, von Rudorff, Guido Falk, Karandashev, Konstantin, Arrieta, Daniel Jose Arismendi, Price, Alastair J. A., Nandi, Surajit, Bhowmik, Arghya, Hermansson, Kersti, von Lilienfeld, O. Anatole

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2308.11196

المؤلفون: Karandashev, Konstantin, Weinreich, Jan, Heinen, Stefan, Arrieta, Daniel Jose Arismendi, von Rudorff, Guido Falk, Hermansson, Kersti, von Lilienfeld, O. Anatole

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2307.15563

المؤلفون: Kullgren, Jolla, 1978, Röckert, Andreas, Hermansson, Kersti, Professor

المصدر: eSSENCE – An eScience Collaboration The Journal of Physical Chemistry C. 127(28):13740-13750

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-510938
https://doi.org/10.1021/acs.jpcc.3c00023
https://uu.diva-portal.org/smash/get/diva2:1796909/FULLTEXT01.pdf

المؤلفون: Romero, Jose, Limao-Vieira, Paulo, Maihom, Thana, Hermansson, Kersti, Professor, Probst, Michael

المصدر: eSSENCE – An eScience Collaboration Journal of Chemical Physics. 160(23)

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-535779
https://doi.org/10.1063/5.0210949
https://uu.diva-portal.org/smash/get/diva2:1887789/FULLTEXT01.pdf

المؤلفون: Heinen, Stefan, Khan, Danish, Falk von Rudorff, Guido, Karandashev, Konstantin, Arismendi Arrieta, Daniel Jose, Price, Alastair J. A., Nandi, Surajit, Bhowmik, Arghya, Hermansson, Kersti, Professor, von Lilienfeld, O. Anatole

المصدر: eSSENCE – An eScience Collaboration Machine Learning. 5(2)

مصطلحات موضوعية: quantum machine learning, computational cost, multilevel machine learning, delta learning, quantum chemistry, kernel ridge regression

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-534289
https://doi.org/10.1088/2632-2153/ad4ae5
https://uu.diva-portal.org/smash/get/diva2:1881401/FULLTEXT01.pdf

المؤلفون: Agosta, Lorenzo, Briels, Wim, Hermansson, Kersti, Dzugutov, Mikhail

المصدر: Journal of Chemical Physics; 9/7/2024, Vol. 161 Issue 9, p1-6, 6p

مصطلحات موضوعية: KIRKENDALL effect, MOLECULAR dynamics, LIQUIDS, ENTROPY

المؤلفون: Castelli, Ivano E., Arismendi-Arrieta, Daniel J., Bhowmik, Arghya, Cekic-Laskovic, Isidora, Clark, Simon, Dominko, Robert, Flores, Eibar, Flowers, Jackson, Frederiksen, Karina Ulvskov, Friis, Jesper, Grimaud, Alexis, Hansen, Karin Vels, Hardwick, Laurence J., Hermansson, Kersti, Königer, Lukas, Lauritzen, Hanne, Cras, Frédéric Le, Li, Hongjiao, Lyonnard, Sandrine, Lorrmann, Henning, Marzari, Nicola, Niedzicki, Leszek, Pizzi, Giovanni, Rahmanian, Fuzhan, Stein, Helge, Uhrin, Martin, Wenzel, Wolfgang, Winter, Martin, Wölke, Christian, Vegge, Tejs

مصطلحات موضوعية: Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/2106.01616

المؤلفون: Röckert, Andreas, Kullgren, Jolla, 1978, Hermansson, Kersti, Professor

المصدر: Journal of Chemical Theory and Computation. 18(12):7683-7694

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-498107
https://doi.org/10.1021/acs.jctc.2c00135
https://uu.diva-portal.org/smash/get/diva2:1745347/FULLTEXT01.pdf

المؤلفون: Wolf, Matthew J., Larsson, Ernst D., Hermansson, Kersti

المصدر: Physical Chemistry Chemical Physics eSSENCE: The e-Science Collaboration. 23(35):19375-19385

مصطلحات موضوعية: Naturvetenskap, Kemi, Materialkemi, Natural Sciences, Chemical Sciences, Materials Chemistry

URL الوصول: https://lup.lub.lu.se/record/41593e9c-8c0e-4a36-9849-2821f0e475f1
http://dx.doi.org/10.1039/d1cp01320c

المؤلفون: Shao, Yunqi, Hellström, Matti, Yllö, Are, Mindemark, Jonas, Hermansson, Kersti, Behler, Jörg, Zhang, Chao

المصدر: Physical Chemistry Chemical Physics, 2020

مصطلحات موضوعية: Physics - Chemical Physics, Condensed Matter - Soft Condensed Matter

URL الوصول: http://arxiv.org/abs/1912.00640

المؤلفون: Arismendi Arrieta, Daniel Jose, Sen, Anik, Eriksson, Anders, Broqvist, Peter, Kullgren, Jolla, 1978, Hermansson, Kersti, Professor

المصدر: Journal of Chemical Physics. 159(19)

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-520366
https://doi.org/10.1063/5.0145203
https://uu.diva-portal.org/smash/get/diva2:1827694/FULLTEXT01.pdf

المؤلفون: Zhang, Xilin, Peng, Qianqian, Chen, Lu, Lu, Zhansheng, Yang, Zongxian, Hermansson, Kersti, Professor

المصدر: Advanced Materials Interfaces. 10(29)

مصطلحات موضوعية: activating surface oxygen, CO oxidation, MXene, new Mars-van Krevelen mechanism, single atom catalyst (SAC)

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-519655
https://doi.org/10.1002/admi.202300070
https://uu.diva-portal.org/smash/get/diva2:1825553/FULLTEXT01.pdf

المؤلفون: Agosta, Lorenzo, Arismendi-Arrieta, Daniel, Dzugutov, Mikhail, Hermansson, Kersti, Professor

المصدر: eSSENCE – An eScience Collaboration Angewandte Chemie International Edition. 62(35)

مصطلحات موضوعية: Hydrophobicity, Cerium Oxide, Water, Ab-initio Molecular Dynamics, Interfaces

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-517284
https://doi.org/10.1002/anie.202303910
https://uu.diva-portal.org/smash/get/diva2:1817690/FULLTEXT01.pdf

المؤلفون: Magdau, Ioan-Bogdan, Arismendi-Arrieta, Daniel J., Smith, Holly E., Grey, Clare P., Hermansson, Kersti, Professor, Csanyi, Gabor

المصدر: eSSENCE – An eScience Collaboration npj Computational Materials. 9

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-510656
https://doi.org/10.1038/s41524-023-01100-w
https://uu.diva-portal.org/smash/get/diva2:1793667/FULLTEXT01.pdf