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Michele Ceriotti

ecole polytechnique federale de lausanne

0H指数
2论文数
0被引数
收录论文 56
发表时间
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Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers人工智能用于先进功能材料：进展与新兴前沿
errAdvanced Intelligent Systems
IF6.1
err2026-08-28
err0
errOAAI
errCristiano Malica; Kostya S. Novoselov; Seongmin Kim; Yousung Jung; Silvana Botti; Miguel A. L. Marques; Tigany Zarrouk; Miguel A. Caro; Sanggyu Chong; Michele Ceriotti; Marivi Fernandez-Serra; Sara Navarro-Rodriguez; Aakash Ashok Naik; Janine George; Ömer Hasan Omar; Victor Trinquet; Gian-Marco Rignanese; Andrey Ustyuzhanin; Sonia Conesa-Boj; Juan Rojo; Minh-Tuan Dau; Simon M.-M. Dubois; Jean-Christophe Charlier; Jose H. Garcia; Romain Gautier; Rachid Laref; Junfeng Qiao; Giovanni Pizzi; Nicola Marzari; Camilla Coletti; Antonio Rossi; Jean-Lucas Uslu; Chiara Zanardi; Vincenzo Palermo; Wide Hogenhout; Natalia Konchakova; Peter Klein; Tejs Vegge; Stephan Roche
err分享
err收藏
How to Train a Shallow Ensemble如何训练浅层集成
errJournal of Chemical Theory and Computation
IF5.5
err2026-05-08
err0
PREAI
errMoritz Schäfer; Matthias Kellner; Johannes Kästner; Michele Ceriotti
err分享
err收藏
Comparing the Latent Features of Universal Machine-Learning Interatomic Potentials比较通用机器学习原子间势能的潜在特征
errAdvanced Intelligent Systems
IF6.1
err2026-03-22
err0
errOAAI
errSofiia Chorna; Davide Tisi; Cesare Malosso; Wei Bin How; Michele Ceriotti; Sanggyu Chong
err分享
err收藏
Optimal radial basis for density-based atomic representations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-09-09
err20
errOAAI
errGoscinski, Alexander; Musil, Felix; Pozdnyakov, Sergey; Nigam, Jigyasa; Ceriotti, Michele
err分享
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Quantum vibronic effects on the electronic properties of solid and molecular carbon
errPHYSICAL REVIEW MATERIALS
IF3.4
err2021-07-26
err20
errOAAI
errKundu, Arpan; Govoni, Marco; Yang, Han; Ceriotti, Michele; Gygi, Francois; Galli, Giulia
err分享
err收藏
Improving sample and feature selection with principal covariates regression
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2021-07-14
err26
errOAAI
errCersonsky, Rose K.; Helfrecht, Benjamin A.; Engel, Edgar A.; Kliavinek, Sergei; Ceriotti, Michele
err分享
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Efficient implementation of atom-density representations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-03-16
err43
errOAAI
errMusil, Felix; Veit, Max; Goscinski, Alexander; Fraux, Guillaume; Willatt, Michael J.; Stricker, Markus; Junge, Till; Ceriotti, Michele
err分享
err收藏
Uncertainty estimation for molecular dynamics and sampling分子动力学和取样的不确定度估计
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-02-16
err76
errOAAI
errImbalzano, Giulio; Zhuang, Yongbin; Kapil, Venkat; Rossi, Kevin; Engel, Edgar A.; Grasselli, Federico; Ceriotti, Michele
err分享
err收藏
Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-07-09
err86
errOAAI
errVeit, Max; Wilkins, David M.; Yang, Yang; DiStasio, Robert A., Jr.; Ceriotti, Michele
err分享
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Inexpensive modeling of quantum dynamics using path integral generalized Langevin equation thermostats
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-03-24
err45
errOAAI
errKapil, Venkat; Wilkins, David M.; Lan, Jinggang; Ceriotti, Michele
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Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-01-23
err9
errOAAI
errCheng, Bingqing; Ceriotti, Michele; Tribello, Gareth A.
err分享
err收藏
A new kind of atlas of zeolite building blocks
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-10-18
err36
errOAAI
errHelfrecht, Benjamin A.; Semino, Rocio; Pireddu, Giovanni; Auerbach, Scott M.; Ceriotti, Michele
err分享
err收藏
Atomic Motif Recognition in (Bio)Polymers: Benchmarks From the Protein Data Bank
errFRONTIERS IN MOLECULAR BIOSCIENCES
IF4
err2019-04-18
err10
errOAAI
errHelfrecht, Benjamin A.; Gasparotto, Piero; Giberti, Federico; Ceriotti, Michele
err分享
err收藏
Communication: Computing the Tolman length for solid-liquid interfaces
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-06-21
err12
errOAAI
errCheng, Bingqing; Ceriotti, Michele
err分享
err收藏
Mapping uncharted territory in ice from zeolite networks to ice structures
errNATURE COMMUNICATIONS
IF15.7
err2018-06-05
err60
errOAAI
errEngel, Edgar A.; Anelli, Andrea; Ceriotti, Michele; Pickard, Chris J.; Needs, Richard J.
err分享
err收藏
Fast-forward Langevin dynamics with momentum flips
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-05-10
err11
errOAAI
errHijazi, Mahdi; Wilkins, David M.; Ceriotti, Michele
err分享
err收藏
Automatic selection of atomic fingerprints and reference configurations for machine-learning potentials自动选择原子指纹和机器学习潜力的参考配置
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-04-30
err266
errOAAI
errImbalzano, Giulio; Anelli, Andrea; Giofre, Daniele; Klees, Sinja; Behler, Joerg; Ceriotti, Michele
err分享
err收藏
Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions通过多体展开表示水相互作用的置换不变多项式，神经网络和高斯近似势的比较
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-04-09
err180
errOAAI
errNguyen, Thuong T.; Szekely, Eszter; Imbalzano, Giulio; Behler, Joerg; Csanyi, Gabor; Ceriotti, Michele; Goetz, Andreas W.; Paesani, Francesco
err分享
err收藏
Nuclear quantum effects enter the mainstream
errNATURE REVIEWS CHEMISTRY
IF51.7
err2018-02-28
err329
errOAAI
errMarkland, Thomas E.; Ceriotti, Michele
err分享
err收藏
Computing the absolute Gibbs free energy in atomistic simulations: Applications to defects in solids
errPHYSICAL REVIEW B
IF3.7
err2018-02-06
err55
errOAAI
errCheng, Bingqing; Ceriotti, Michele
err分享
err收藏

研究方向

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