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Luigi Bonati

atomistic simulations, iit, genova 16152, italy

16H指数
44论文数
1.6K被引数
收录论文 17
发表时间
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From trial-and-error to intelligent workflows: machine learning and simulations for scalable 2D material synthesis从试错法到智能工作流程：机器学习和模拟在可扩展二维材料合成中的应用
err2D Materials
IF4.3
err2025-12-18
err0
errOAAI
errLuigi Bonati; Pietro Novelli; Antonio Rossi
err分享
err收藏
Nitrogen adsorption and dissociation on flat and stepped Fe(110) surfaces氮在平坦和阶梯状Fe(110)表面的吸附与解离
errJournal of Catalysis
IF6.5
err2025-11-21
err0
PREAI
errShivam Tripathi; Luigi Bonati; Simone Perego; Michele Parrinello
err分享
err收藏
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
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-07
err1
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
err分享
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Data efficient machine learning potentials for modeling catalytic reactivity via active learning and enhanced sampling通过主动学习和增强采样对催化反应性进行建模的数据高效机器学习潜力
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-12-19
err0
errOAAI
errPerego, Simone; Bonati, Luigi
err分享
err收藏
How Dynamics Changes Ammonia Cracking on Iron Surfaces
errACS CATALYSIS
IF13.1
err2024-09-18
err3
PREAI
errPerego, Simone; Bonati, Luigi; Tripathi, Shivam; Parrinello, Michele
err分享
err收藏
Iron Nitride Formation and Decomposition during Ammonia Decomposition over a Wustite-Based Bulk Iron Catalyst
errACS CATALYSIS
IF13.1
err2024-09-06
err2
PREAI
errPurcel, M.; Berendts, S.; Bonati, L.; Perego, S.; Mueller, A.; Lerch, M.; Parrinello, M.; Muhler, M.
err分享
err收藏
Combining Transition Path Sampling with Data-Driven Collective Variables through a Reactivity-Biased Shooting Algorithm
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-27
err3
errOAAI
errZhang, Jintu; Zhang, Odin; Bonati, Luigi; Hou, TingJun
err分享
err收藏
Deep learning path-like collective variable for enhanced sampling molecular dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-05-02
err8
errOAAI
errFrohlking, Thorben; Bonati, Luigi; Rizzi, Valerio; Gervasio, Francesco Luigi
err分享
err收藏
How Poisoning Is Avoided in a Step of Relevance to the Haber-Bosch Catalysis
errACS CATALYSIS
IF13.1
err2024-03-18
err6
PREAI
errTripathi, Shivam; Bonati, Luigi; Perego, Simone; Parrinello, Michele
err分享
err收藏
A unified framework for machine learning collective variables for enhanced sampling simulations: mlcolvar
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-07-06
err31
errOAAI
errBonati, Luigi; Trizio, Enrico; Rizzi, Andrea; Parrinello, Michele
err分享
err收藏
Characterizing Metastable States with the Help of Machine Learning
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-08-03
err15
errOAAI
errNovelli, Pietro; Bonati, Luigi; Pontil, Massimiliano; Parrinello, Michele
err分享
err收藏
Using metadynamics to build neural network potentials for reactive events: the case of urea decomposition in water使用元动力学为反应事件建立神经网络电位: 尿素在水中分解的情况
errCATALYSIS TODAY
IF5.3
err2022-03-01
err102
errOAAI
errYang, Manyi; Bonati, Luigi; Polino, Daniela; Parrinello, Michele
err分享
err收藏
Deep learning the slow modes for rare events sampling深度学习罕见事件采样的慢速模式
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2021-10-27
err127
errOAAI
errBonati, Luigi; Piccini, GiovanniMaria; Parrinello, Michele
err分享
err收藏
The role of water in host-guest interaction
errNATURE COMMUNICATIONS
IF15.7
err2021-01-04
err48
errOAAI
errRizzi, Valerio; Bonati, Luigi; Ansari, Narjes; Parrinello, Michele
err分享
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Ab initio phase diagram and nucleation of gallium镓的从头算相图和成核
errNATURE COMMUNICATIONS
IF15.7
err2020-05-27
err145
errOAAI
errNiu, Haiyang; Bonati, Luigi; Piaggi, Pablo M.; Parrinello, Michele
err分享
err收藏
Neural networks-based variationally enhanced sampling
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2019-08-15
err108
errOAAI
errBonati, Luigi; Zhang, Yue-Yu; Parrinello, Michele
err分享
err收藏
No Time for Nitrides: How Cobalt Alloying Promotes Iron Catalysts for Ammonia Decomposition《无暇氮化物：钴合金化如何促进铁催化剂用于氨分解》
errACS Catalysis
IF13.1
err
err0
PREAI
errSimone Perego; Maximilian Purcel; Yannick Baum; Shilong Chen; Astrid Sophie Müller; Michele Parrinello; Malte Behrens; Martin Muhler; Luigi Bonati
err分享
err收藏

研究方向

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合作学者
合作期刊
M
Michele Parrinello
H 指数: 155 · 论文数: 924
M
Michele Vendruscolo
H 指数: 118 · 论文数: 1.1K
G
Gregory A. Voth
H 指数: 114 · 论文数: 988
M
Martin Muhler
H 指数: 92 · 论文数: 788
侯
侯廷军 (Tingjun Hou)
H 指数: 92 · 论文数: 693
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