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Rogal, Jutta

freie universitat berlin

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Published Papers 47
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Efficient mapping of phase diagrams with conditional Boltzmann Generators
err2024-11-22
err1
errOAAI
errSchebek, Maximilian; Invernizzi, Michele; Noe, Frank; Rogal, Jutta
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Machine Learning Classification of Local Environments in Molecular Crystals
err2024-07-03
err3
errOAAI
errKuroshima, Daisuke; Kilgour, Michael; Tuckerman, Mark E.; Rogal, Jutta
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Structural transformations driven by local disorder at interfaces
err2024-03-14
err1
errOAAI
errLiang, Yanyan; Leines, Grisell Diaz; Drautz, Ralf; Rogal, Jutta
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Influence of spin fluctuations on structural phase transitions of iron
err2023-03-29
err4
errOAAI
errWang, Ning; Hammerschmidt, Thomas; Hickel, Tilmann; Rogal, Jutta; Drautz, Ralf
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Defect-characterized phase transition kinetics
err2022-11-15
err23
errOAAI
errZhang, Xie; Zhang, Jian; Wang, Hongcai; Rogal, Jutta; Li, Hong-Yi; Wei, Su-Huai; Hickel, Tilmann
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Machine learning for molecular simulations of crystal nucleation and growth
err2022-10-04
err7
errOAAI
errSarupria, Sapna; Hall, Steven W.; Rogal, Jutta
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Practical guide to replica exchange transition interface sampling and forward flux sampling
err2022-05-24
err14
errOAAI
errHall, Steven W.; Leines, Grisell Diaz; Sarupria, Sapna; Rogal, Jutta
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Interplay of structural and dynamical heterogeneity in the nucleation mechanism in nickel
err2022-01-01
err6
errOAAI
errLeines, Grisell Diaz; Michaelides, Angelos; Rogal, Jutta
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Understanding crystal nucleation mechanisms: where do we stand? General discussion
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
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Controlling polymorphism: general discussion
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
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Growing crystals by design: general discussion
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
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Automated free-energy calculation from atomistic simulations
err2021-10-11
err14
errOAAI
errMenon, Sarath; Lysogorskiy, Yury; Rogal, Jutta; Drautz, Ralf
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Role of pre-ordered liquid in the selection mechanism of crystal polymorphs during nucleation
err2020-09-11
err14
errOAAI
errMenon, Sarath; Leines, Grisell Diaz; Drautz, Ralf; Rogal, Jutta
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Identification of a multi-dimensional reaction coordinate for crystal nucleation in Ni3Al
err2020-06-12
err17
errOAAI
errLiang, Yanyan; Leines, Grisell Diaz; Drautz, Ralf; Rogal, Jutta
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