Tensor-Reduced Atomic Density Representations
Darby, James P, Kovács, Dávid P, Batatia, Ilyes, Caro, Miguel A, Hart, Gus L W, Ortner, Christoph, Csányi, Gábor
Published in Physical review letters (14.07.2023)
Published in Physical review letters (14.07.2023)
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Journal Article
Tensor-reduced atomic density representations
Darby, James P, Kovács, Dávid P, Ilyes Batatia, Caro, Miguel A, Hart, Gus L W, Ortner, Christoph, Csányi, Gábor
Published in arXiv.org (06.12.2022)
Published in arXiv.org (06.12.2022)
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Journal Article
A foundation model for atomistic materials chemistry
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
Year of Publication 29.12.2023
Year of Publication 29.12.2023
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Journal Article
A foundation model for atomistic materials chemistry
Ilyes Batatia, 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, Flaviano Della Pia, Deringer, Volker L, Rokas Elijošius, 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, Ioan-Bogdan Magdău, Michaelides, Angelos, Moore, J Harry, Naik, Aakash A, Niblett, Samuel P, Sam Walton Norwood, 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, Cas van der Oord, Varga-Umbrich, Eszter, Vegge, Tejs, Vondrák, Martin, Wang, Yangshuai, Witt, William C, Zills, Fabian, Csányi, Gábor
Published in arXiv.org (01.03.2024)
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Published in arXiv.org (01.03.2024)
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