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Frank Noé

microsoft research

70H指数
405论文数
2.4W被引数
收录论文 148
发表时间
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An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking基于第一性原理的波函数基础模型，能够准确描述化学键断裂
errNature Communications
IF15.7
err2026-08-21
err0
errOAAI
errAdam Foster; Zeno Schätzle; P. Bernát Szabó; Lixue Cheng; Jonas Köhler; Gino Cassella; Nicholas Gao; Jiawei Li; Frank Noé; Jan Hermann
err分享
err收藏
Scalable Boltzmann generators for equilibrium sampling of large-scale materials可扩展的玻尔兹曼生成器用于大规模材料的平衡采样
errNature Communications
IF15.7
err2026-06-05
err0
errOAAI
errMaximilian Schebek; Frank Noé; Jutta Rogal
err分享
err收藏
Extending the range of graph neural networks with global encodings通过全局编码扩展图神经网络的范围
errNature Communications
IF15.7
err2026-02-18
err0
errOAAI
errAlessandro Caruso; Jacopo Venturin; Lorenzo Giambagli; Edoardo Rolando; Zakariya El-Machachi; Frank Noé; Cecilia Clementi
err分享
err收藏
Secondary structure transitions and dual PIP2 binding define cardiac KCNQ1-KCNE1 channel gating二级结构转变和双PIP2结合定义了心脏KCNQ1-KCNE1通道的门控机制
errCell Research
IF25.9
err2025-10-02
err0
errOAAI
errLing Zhong; Xiaoqing Lin; Xinyu Cheng; Shuangyan Wan; Yaoguang Hua; Weiwei Nan; Bin Hu; Xiangjun Peng; Zihan Zhou; Qiansen Zhang; Huaiyu Yang; Frank Noé; Zhenzhen Yan; Dexiang Jiang; Hangyu Zhang; Fengjiao Liu; Chenxin Xiao; Zhuo Zhou; Yimin Mou; Haijie Yu; Lijuan Ma; Chen Huang; Vincent Kam Wai Wong; Sookja Kim Chung; Bing Shen; Zhi-Hong Jiang; Erwin Neher; Wandi Zhu; Jin Zhang; Panpan Hou
err分享
err收藏
Conformational changes, excess area, and elasticity of the Piezo protein-membrane nanodome from coarse-grained and atomistic simulations构象变化、过剩面积以及Piezo蛋白-膜纳米穹顶的弹性：来自粗粒化和原子级模拟的研究
errELIFE
IF0
err2025-09-24
err0
PREAI
errDixit, Sneha; Noe, Frank; Weikl, Thomas R.
err分享
err收藏
Simulations and active learning enable efficient identification of an experimentally-validated broad coronavirus inhibitor模拟和主动学习能够实现高效识别一种实验验证的广谱冠状病毒抑制剂
errNature Communications
IF15.7
err2025-07-29
err0
errOAAI
errKatarina Elez; Tim Hempel; Jonathan H. Shrimp; Nicole Moor; Lluís Raich; Cheila Rocha; Robin Winter; Tuan Le; Stefan Pöhlmann; Markus Hoffmann; Matthew D. Hall; Frank Noé
err分享
err收藏
Navigating protein landscapes with a machine-learned transferable coarse-grained model使用机器学习的可转移粗粒度模型导航蛋白质景观
errNature Chemistry
IF20.2
err2025-07-18
err0
errOAAI
errNicholas E. Charron; Klara Bonneau; Aldo S. Pasos-Trejo; Andrea Guljas; Yaoyi Chen; Félix Musil; Jacopo Venturin; Daria Gusew; Iryna Zaporozhets; Andreas Krämer; Clark Templeton; Atharva Kelkar; Aleksander E. P. Durumeric; Simon Olsson; Adrià Pérez; Maciej Majewski; Brooke E. Husic; Ankit Patel; Gianni De Fabritiis; Frank Noé; Cecilia Clementi
err分享
err收藏
Scalable emulation of protein equilibrium ensembles with generative deep learning使用生成式深度学习对蛋白质平衡态集合的可扩展模拟
errScience
IF45.8
err2025-07-10
err0
PREAI
errSarah Lewis; Tim Hempel; José Jiménez-Luna; Michael Gastegger; Yu Xie; Andrew Y. K. Foong; Victor García Satorras; Osama Abdin; Bastiaan S. Veeling; Iryna Zaporozhets; Yaoyi Chen; Soojung Yang; Adam E. Foster; Arne Schneuing; Jigyasa Nigam; Federico Barbero; Vincent Stimper; Andrew Campbell; Jason Yim; Marten Lienen; Yu Shi; Shuxin Zheng; Hannes Schulz; Usman Munir; Roberto Sordillo; Ryota Tomioka; Cecilia Clementi; Frank Noé
err分享
err收藏
Artificially intelligent Maxwell's demon for optimal control of open quantum systems人工智能麦克斯韦妖用于开放量子系统的最优控制
errQUANTUM SCIENCE AND TECHNOLOGY
IF5
err2025-03-27
err0
errOAAI
errErdman, Paolo A.; Czupryniak, Robert; Bhandari, Bibek; Jordan, Andrew N.; Noe, Frank; Guarnieri, Giacomo
err分享
err收藏
Highly accurate real-space electron densities with neural networks
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-01-21
err0
PREAI
errCheng, Lixue; Szabo, P. Bernat; Schaetzle, Zeno; Kooi, Derk P.; Koehler, Jonas; Giesbertz, Klaas J. H.; Noe, Frank; Hermann, Jan; Gori-Giorgi, Paola; Foster, Adam
err分享
err收藏
Efficient mapping of phase diagrams with conditional Boltzmann Generators使用条件玻尔兹曼生成器对相图进行有效映射
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2024-11-22
err1
errOAAI
errSchebek, Maximilian; Invernizzi, Michele; Noe, Frank; Rogal, Jutta
err分享
err收藏
Dicke superradiant heat current enhancement in circuit quantum electrodynamics电路量子电动力学中的Dicke超辐射热流增强
errPHYSICAL REVIEW RESEARCH
IF4.2
err2024-11-12
err0
PREAI
errAndolina, Gian Marcello; Erdman, Paolo Andrea; Noe, Frank; Pekola, Jukka; Schiro, Marco
err分享
err收藏
Predicting equilibrium distributions for molecular systems with deep learning (vol 6, pg 558, 2024)用深度学习预测分子系统的平衡分布 (第6卷，558页，2024)
errNATURE MACHINE INTELLIGENCE
IF23.9
err2024-10-29
err0
errOAAI
errZheng, Shuxin; He, Jiyan; Liu, Chang; Shi, Yu; Lu, Ziheng; Feng, Weitao; Ju, Fusong; Wang, Jiaxi; Zhu, Jianwei; Min, Yaosen; Zhang, He; Tang, Shidi; Hao, Hongxia; Jin, Peiran; Chen, Chi; Noe, Frank; Liu, Haiguang; Liu, Tie-Yan
err分享
err收藏
An Improved Penalty-Based Excited-State Variational Monte Carlo Approach with Deep-Learning Ansatzes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-08-30
err3
errOAAI
errSzabo, P. Bernat; Schaetzle, Zeno; Entwistle, Michael T.; Noe, Frank
err分享
err收藏
Structure prediction of alternative protein conformations
errNATURE COMMUNICATIONS
IF15.7
err2024-08-26
err1
errOAAI
errBryant, Patrick; Noe, Frank
err分享
err收藏
Structure prediction of protein-ligand complexes from sequence information with Umol用Umol从序列信息预测蛋白质-配体复合物的结构
errNATURE COMMUNICATIONS
IF15.7
err2024-05-28
err9
errOAAI
errBryant, Patrick; Kelkar, Atharva; Guljas, Andrea; Clementi, Cecilia; Noe, Frank
err分享
err收藏
Predicting equilibrium distributions for molecular systems with deep learning基于深度学习的分子系统平衡分布预测
errNATURE MACHINE INTELLIGENCE
IF23.9
err2024-05-08
err10
errOAAI
errZheng, Shuxin; He, Jiyan; Liu, Chang; Shi, Yu; Lu, Ziheng; Feng, Weitao; Ju, Fusong; Wang, Jiaxi; Zhu, Jianwei; Min, Yaosen; Zhang, He; Tang, Shidi; Hao, Hongxia; Jin, Peiran; Chen, Chi; Noe, Frank; Liu, Haiguang; Liu, Tie-Yan
err分享
err收藏
Optimal thermometers with spin networks
errQUANTUM SCIENCE AND TECHNOLOGY
IF5
err2024-04-12
err3
errOAAI
errAbiuso, Paolo; Erdman, Paolo Andrea; Ronen, Michael; Noe, Frank; Haack, Geraldine; Perarnau-Llobet, Marti
err分享
err收藏
Reaction coordinate flows for model reduction of molecular kinetics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-01-25
err6
errOAAI
errWu, Hao; Noe, Frank
err分享
err收藏
Sub-membrane actin rings compartmentalize the plasma membrane
errJOURNAL OF CELL BIOLOGY
IF6.4
err2024-01-22
err3
errOAAI
errRentsch, Jakob; Bandstra, Selle; Sezen, Batuhan; Sigrist, Philipp; Bottanelli, Francesca; Schmerl, Bettina; Shoichet, Sarah; Noe, Frank; Sadeghi, Mohsen; Ewers, Helge
err分享
err收藏

研究方向

暂无研究方向
合作学者
合作期刊
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Vijay S. Pande
H 指数: 110 · 论文数: 494
J
Jeremy C. Smith
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