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R

Rogal, Jutta

freie universitat berlin

0H指数
0论文数
0被引数
收录论文 47
发表时间
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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
MXtalTools: A Toolkit for Machine Learning on Molecular CrystalsMXtalTools：用于分子晶体机器学习的工具包
errJournal of Chemical Information and Modeling
IF5.3
err2026-03-01
err0
errOAAI
errKilgour, Michael; Tuckerman, Mark E.; Rogal, Jutta
err分享
err收藏
Multi-type point cloud autoencoder: a complete equivariant embedding for molecule conformation and pose多类型点云自编码器：分子构象和姿态的完整等变性嵌入
errmachine learning science and technology
IF0
err2025-09-17
err0
errOAAI
errMichael Kilgour; Mark E Tuckerman; Jutta Rogal
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
Machine Learning Classification of Local Environments in Molecular Crystals
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-07-03
err3
errOAAI
errKuroshima, Daisuke; Kilgour, Michael; Tuckerman, Mark E.; Rogal, Jutta
err分享
err收藏
Structural transformations driven by local disorder at interfaces
errPHYSICAL REVIEW MATERIALS
IF3.4
err2024-03-14
err1
errOAAI
errLiang, Yanyan; Leines, Grisell Diaz; Drautz, Ralf; Rogal, Jutta
err分享
err收藏
Controlling crystallization: what liquid structure and dynamics reveal about crystal nucleation mechanisms
errPHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
IF3.7
err2023-05-22
err4
errOAAI
errRogal, Jutta; Leines, Grisell Diaz
err分享
err收藏
Geometric Deep Learning for Molecular Crystal Structure Prediction
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-04-13
err15
errOAAI
errKilgour, Michael; Rogal, Jutta; Tuckerman, Mark
err分享
err收藏
Influence of spin fluctuations on structural phase transitions of iron
errPHYSICAL REVIEW B
IF3.7
err2023-03-29
err4
errOAAI
errWang, Ning; Hammerschmidt, Thomas; Hickel, Tilmann; Rogal, Jutta; Drautz, Ralf
err分享
err收藏
Atomistic simulations of diffusion in γ' -strengthened Co-based superalloys and its connection to selective alumina formation in early-stage oxidation
errPHYSICAL REVIEW MATERIALS
IF3.4
err2023-01-26
err1
PREAI
errQin, Lin; Kubacka, Dorota; Spiecker, Erdmann; Drautz, Ralf; Rogal, Jutta
err分享
err收藏
Defect-characterized phase transition kinetics缺陷表征相变动力学
errAPPLIED PHYSICS REVIEWS
IF11.6
err2022-11-15
err23
errOAAI
errZhang, Xie; Zhang, Jian; Wang, Hongcai; Rogal, Jutta; Li, Hong-Yi; Wei, Su-Huai; Hickel, Tilmann
err分享
err收藏
Machine learning for molecular simulations of crystal nucleation and growth用于晶体成核和生长的分子模拟的机器学习
errMRS BULLETIN
IF4.9
err2022-10-04
err7
errOAAI
errSarupria, Sapna; Hall, Steven W.; Rogal, Jutta
err分享
err收藏
Practical guide to replica exchange transition interface sampling and forward flux sampling
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-05-24
err14
errOAAI
errHall, Steven W.; Leines, Grisell Diaz; Sarupria, Sapna; Rogal, Jutta
err分享
err收藏
Interplay of structural and dynamical heterogeneity in the nucleation mechanism in nickel
errFARADAY DISCUSSIONS
IF3.1
err2022-01-01
err6
errOAAI
errLeines, Grisell Diaz; Michaelides, Angelos; Rogal, Jutta
err分享
err收藏
Understanding crystal nucleation mechanisms: where do we stand? General discussion了解晶体成核机制: 我们的立场是什么？一般讨论
errFARADAY DISCUSSIONS
IF3.1
err2022-01-01
err16
errOAAI
errAnderson, Michael W.; Bennett, Matthew; Cedeno, Ruel; Colfen, Helmut; Cox, Stephen J.; Cruz-Cabeza, Aurora J.; De Yoreo, James J.; Drummond-Brydson, Rik; Dudek, Marta K.; Fichthorn, Kristen A.; Finney, Aaron R.; Ford, Ian; Galloway, Johanna M.; Gebauer, Denis; Grossier, Romain; Harding, John H.; Hare, Alan; Horvath, Dezso; Hunter, Liam; Kim, Joonsoo; Kimura, Yuki; Kirschhock, Christine E. A.; Kiselev, Alexei A.; Kras, Weronika; Kuttner, Christian; Lee, Alfred Y.; Liao, Zhiyu; Maini, Lucia; Nilsson Lill, Sten O.; Pellens, Nick; Price, Sarah L.; Rietveld, Ivo B.; Rimer, Jeffrey D.; Roberts, Kevin J.; Rogal, Jutta; Salvalaglio, Matteo; Sandei, Ilaria; Schuszter, Gabor; Sefcik, Jan; Sun, Wenhao; ter Horst, Joop H.; Ukrainczyk, Marko; Van Driessche, Alexander E. S.; Veesler, Stephane; Vekilov, Peter G.; Verma, Vivek; Whale, Thomas; Wheatcroft, Helen P.; Zeglinski, Jacek
err分享
err收藏
Controlling polymorphism: general discussion控制多态性: 一般讨论
errFARADAY DISCUSSIONS
IF3.1
err2022-01-01
err4
PREAI
errCedeno, Ruel; Cruz-Cabeza, Aurora; Drummond-Brydson, Rik; Dudek, Marta K.; Edkins, Katharina; Fichthorn, Kristen; Finney, Aaron R.; Ford, Ian; Galloway, Johanna Marie; Grossier, Romain; Kim, Joonsoo; Kuttner, Christian; Maini, Lucia; Meldrum, Fiona; Miller, Mark; Morris, Peter; Lill, Sten O. Nilsson; Pokroy, Boaz; Price, Sarah; Rietveld, Ivo B.; Rimer, Jeffrey; Roberts, Kevin; Rogal, Jutta; Salvalaglio, Matteo; Sefcik, Jan; Sun, Wenhao; Veesler, Stephane; Vekilov, Peter; Wheatcroft, Helen; Whittaker, Michael; Zhao, Ran
err分享
err收藏
Growing crystals by design: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2022-01-01
err0
PREAI
errAnderson, Michael; Bennett, Matthew; Cedeno, Ruel; Dudek, Marta K.; Fichthorn, Kristen; Finney, Aaron R.; Ford, Ian; Freeman, Colin; Hare, Alan; Hewson, Connor; Hill, Adam; Kim, Joonsoo; Kirschhock, Christine; Kuttner, Christian; Meldrum, Fiona; Nilsson Lill, Sten O.; Pooley, Rachel; Rietveld, Ivo B.; Rimer, Jeffrey; Roberts, Kevin; Rogal, Jutta; Salvalaglio, Matteo; Sefcik, Jan; Sun, Wenhao; Thompson, Damien; Tong, Jincheng; Trueman, Mollie; Vekilov, Peter
err分享
err收藏
Automated free-energy calculation from atomistic simulations
errPHYSICAL REVIEW MATERIALS
IF3.4
err2021-10-11
err14
errOAAI
errMenon, Sarath; Lysogorskiy, Yury; Rogal, Jutta; Drautz, Ralf
err分享
err收藏
Role of pre-ordered liquid in the selection mechanism of crystal polymorphs during nucleation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-09-11
err14
errOAAI
errMenon, Sarath; Leines, Grisell Diaz; Drautz, Ralf; Rogal, Jutta
err分享
err收藏
Identification of a multi-dimensional reaction coordinate for crystal nucleation in Ni3Al
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-06-12
err17
errOAAI
errLiang, Yanyan; Leines, Grisell Diaz; Drautz, Ralf; Rogal, Jutta
err分享
err收藏

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