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Michele Ceriotti

Institute of Materials

62H指数
416论文数
1.6W被引数
收录论文 89
发表时间
PET-MAD as a lightweight universal interatomic potential for advanced materials modelingPET-MAD作为一种轻量级通用原子间势能用于先进材料建模
err2025-11-27
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errOAAI
errArslan Mazitov; Filippo Bigi; Matthias Kellner; Paolo Pegolo; Davide Tisi; Guillaume Fraux; Sergey Pozdnyakov; Philip Loche; Michele Ceriotti
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Massive Atomic Diversity: a compact universal dataset for atomistic machine learning原子多样性:用于原子尺度机器学习的紧凑型通用数据集
err2025-11-21
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errArslan Mazitov; Sofiia Chorna; Guillaume Fraux; Marnik Bercx; Giovanni Pizzi; Sandip De; Michele Ceriotti
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Fast and flexible long-range models for atomistic machine learning快速且灵活的长程模型用于原子尺度机器学习
err2025-04-08
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errHuguenin-Dumittan, Kevin K.; Honarmand, Melika; Xu, Qianjun; Rumiantsev, Egor; How, Wei Bin; Langer, Marcel F.; Ceriotti, Michele
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PLUMED Tutorials: A collaborative, community-driven learning ecosystemPLUMED教程: 一个协作的,社区驱动的学习生态系统
err2025-03-07
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PREAI
errTribello, Gareth A.; Bonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Armstrong, Blake I.; Arsiccio, Andrea; Aureli, Simone; Ballabio, Federico; Bernetti, Mattia; Bonati, Luigi; Brookes, Samuel G. H.; Brotzakis, Z. Faidon; Capelli, Riccardo; Ceriotti, Michele; Chan, Kam-Tung; Cossio, Pilar; Dasetty, Siva; Donadio, Davide; Ensing, Bernd; Ferguson, Andrew L.; Fraux, Guillaume; Gale, Julian D.; Gervasio, Francesco Luigi; Giorgino, Toni; Herringer, Nicholas S. M.; Hocky, Glen M.; Hoff, Samuel E.; Invernizzi, Michele; Languin-Cattoen, Olivier; Leone, Vanessa; Limongelli, Vittorio; Lopez-Acevedo, Olga; Marinelli, Fabrizio; Febrer Martinez, Pedro; Masetti, Matteo; Mehdi, Shams; Michaelides, Angelos; Murtada, Mhd Hussein; Parrinello, Michele; Piaggi, Pablo M.; Pietropaolo, Adriana; Pietrucci, Fabio; Pipolo, Silvio; Pritchard, Claire; Raiteri, Paolo; Raniolo, Stefano; Rapetti, Daniele; Rizzi, Valerio; Rydzewski, Jakub; Salvalaglio, Matteo; Schran, Christoph; Seal, Aniruddha; Shayesteh Zadeh, Armin; Silva, Tomas F. D.; Spiwok, Vojtech; Stirnemann, Guillaume; Sucerquia, Daniel; Tiwary, Pratyush; Valsson, Omar; Vendruscolo, Michele; Voth, Gregory A.; White, Andrew D.; Wu, Jiangbo
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Adaptive energy reference for machine-learning models of the electronic density of states电子态密度机器学习模型的自适应能量参考
err2025-01-22
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PREAI
errBin How, Wei; Chong, Sanggyu; Grasselli, Federico; Huguenin-Dumittan, Kevin K.; Ceriotti, Michele
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Prediction rigidities for data-driven chemistry
err2025-01-01
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errOAAI
errChong, Sanggyu; Bigi, Filippo; Grasselli, Federico; Loche, Philip; Kellner, Matthias; Ceriotti, Michele
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Probing the effects of broken symmetries in machine learning
err2024-10-29
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errOAAI
errLanger, Marcel F.; Pozdnyakov, Sergey N.; Ceriotti, Michele
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A prediction rigidity formalism for low-cost uncertainties in trained neural networks
err2024-10-22
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errBigi, Filippo; Chong, Sanggyu; Ceriotti, Michele; Grasselli, Federico
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i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations
err2024-08-14
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errLitman, Yair; Kapil, Venkat; Feldman, Yotam M. Y.; Tisi, Davide; Begusic, Tomislav; Fidanyan, Karen; Fraux, Guillaume; Higer, Jacob; Kellner, Matthias; Li, Tao E.; Pos, Eszter S.; Stocco, Elia; Trenins, George; Hirshberg, Barak; Rossi, Mariana; Ceriotti, Michele
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Wigner kernels: Body-ordered equivariant machine learning without a basis
err2024-07-26
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errBigi, Filippo; Pozdnyakov, Sergey N.; Ceriotti, Michele
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Modeling the ferroelectric phase transition in barium titanate with DFT accuracy and converged sampling
err2024-07-01
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errGigli, Lorenzo; Goscinski, Alexander; Ceriotti, Michele; Tribello, Gareth A.
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Electronic Excited States from Physically Constrained Machine Learning来自物理约束机器学习的电子激发态
err2024-02-29
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errOAAI
errCignoni, Edoardo; Suman, Divya; Nigam, Jigyasa; Cupellini, Lorenzo; Mennucci, Benedetta; Ceriotti, Michele
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Mechanism of Charge Transport in Lithium Thiophosphate硫代磷酸锂的电荷传输机理
err2024-02-05
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errOAAI
errGigli, Lorenzo; Tisi, Davide; Grasselli, Federico; Ceriotti, Michele
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Accelerated chemical science with AI用AI加速化学科学
err2024-01-01
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errBack, Seoin; Aspuru-Guzik, Alan; Ceriotti, Michele; Gryn'ova, Ganna; Grzybowski, Bartosz; Gu, Geun Ho; Hein, Jason; Hippalgaonkar, Kedar; Hormazabal, Rodrigo; Jung, Yousung; Kim, Seonah; Kim, Woo Youn; Moosavi, Seyed Mohamad; Noh, Juhwan; Park, Changyoung; Schrier, Joshua; Schwaller, Philippe; Tsuda, Koji; Vegge, Tejs; von Lilienfeld, O. Anatole; Walsh, Aron
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Robustness of Local Predictions in Atomistic Machine Learning Models原子机器学习模型中局部预测的鲁棒性
err2023-11-10
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errChong, Sanggyu; Grasselli, Federico; Ben Mahmoud, Chiheb; Morrow, Joe D.; Deringer, Volker L.; Ceriotti, Michele
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Fast evaluation of spherical harmonics with sphericart
err2023-08-08
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PREAI
errBigi, Filippo; Fraux, Guillaume; Browning, Nicholas J.; Ceriotti, Michele
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