Incorporating long-range electrostatics in neural network potentials via variational charge equilibration from shortsighted ingredients
Shaidu, Yusuf, Pellegrini, Franco, Küçükbenli, Emine, Lot, Ruggero, de Gironcoli, Stefano
Published in npj computational materials (04.03.2024)
Published in npj computational materials (04.03.2024)
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Journal Article
PANNA: Properties from Artificial Neural Network Architectures
Lot, Ruggero, Pellegrini, Franco, Shaidu, Yusuf, Küçükbenli, Emine
Published in Computer physics communications (01.11.2020)
Published in Computer physics communications (01.11.2020)
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Journal Article
Uniaxial Tensile-Induced Phase Transition in Graphynes
Kotoko, K. Jacques, Sodoga, Komi, Shaidu, Yusuf, Seriani, Nicola, Borah, Sangkha, Beltako, Katawoura
Published in Journal of physical chemistry. C (10.10.2024)
Published in Journal of physical chemistry. C (10.10.2024)
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Journal Article
PANNA: Properties from Artificial Neural Network Architectures
Lot, Ruggero, Pellegrini, Franco, Shaidu, Yusuf, Küçükbenli, Emine
Published in Computer physics communications (30.05.2020)
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Published in Computer physics communications (30.05.2020)
Journal Article
Lithium Adsorption on Graphene at Finite Temperature
Shaidu, Yusuf, Küçükbenli, Emine, de Gironcoli, Stefano
Published in Journal of physical chemistry. C (13.09.2018)
Published in Journal of physical chemistry. C (13.09.2018)
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Journal Article
Removal of Chromium and Arsenic from Water Using Polyol-Functionalized Porous Aromatic Frameworks
Uliana, Adam A., Pezoulas, Ethan R., Zakaria, N. Isaac, Johnson, Arun S., Smith, Alex, Lu, Yubing, Shaidu, Yusuf, Velasquez, Ever O., Jackson, Megan N., Blum, Monika, Neaton, Jeffrey B., Yano, Junko, Long, Jeffrey R.
Published in Journal of the American Chemical Society (28.08.2024)
Published in Journal of the American Chemical Society (28.08.2024)
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Journal Article
PANNA: Properties from Artificial Neural Network Architectures
Lot, Ruggero, Pellegrini, Franco, Shaidu, Yusuf, Kucukbenli, Emine
Published in arXiv.org (06.07.2019)
Published in arXiv.org (06.07.2019)
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Paper
Journal Article
A Systematic Approach to Generating Accurate Neural Network Potentials: the Case of Carbon
Shaidu, Yusuf, Kucukbenli, Emine, Lot, Ruggero, Pellegrini, Franco, Kaxiras, Efthimios, de Gironcoli, Stefano
Year of Publication 09.11.2020
Year of Publication 09.11.2020
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Journal Article