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Bernd Ensing

University of Amsterdam

45H-index
141Paper Count
6.3KCitation Count
Published Papers 52
Publication Date
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Learned free-energy functionals from pair-correlation matching for dynamical density functional theory
errPHYSICAL REVIEW E
IF2.4
err2025-10-17
err0
PREAI
errRam, Karnik; Dijkman, Jacobus; Van Roij, Rene; van de Meent, Jan-Willem; Ensing, Bernd; Welling, Max; Cremers, Daniel
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PLUMED Tutorials: A collaborative, community-driven learning ecosystem
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
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Comparison of optimization algorithms for automated method development of gradient profiles
errJOURNAL OF CHROMATOGRAPHY A
IF4
err2025-02-01
err0
PREAI
errvan Henten, Gerben B.; Boelrijk, Jim; Kattenberg, Celine; Bos, Tijmen S.; Ensing, Bernd; Forre, Patrick; Pirok, Bob W. J.
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Enhancing LC x LC separations through multi-task Bayesian optimization
errJOURNAL OF CHROMATOGRAPHY A
IF4
err2024-07-01
err1
errOAAI
errBoelrijk, Jim; Molenaar, Stef R. A.; Bos, Tijmen S.; Dahlseid, Tina A.; Ensing, Bernd; Stoll, Dwight R.; Forre, Patrick; Pirok, Bob W. J.
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errSave
Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2023-02-24
err6
errOAAI
errBoelrijk, Jim; van Herwerden, Denice; Ensing, Bernd; Forre, Patrick; Samanipour, Saer
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errSave
Closed-loop automatic gradient design for liquid chromatography using Bayesian optimization
errANALYTICA CHIMICA ACTA
IF6
err2023-02-01
err19
errOAAI
errBoelrijk, Jim; Ensing, Bernd; Forre, Patrick; Pirok, Bob W. J.
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errSave
Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography
errANALYTICAL CHEMISTRY
IF6.7
err2022-11-01
err19
errOAAI
errBos, Tijmen S.; Boelrijk, Jim; Molenaar, Stef R. A.; Veer, Brian van 't; Niezen, Leon E.; van Herwerden, Denice; Samanipour, Saer; Stoll, Dwight R.; Forre, Patrick; Ensing, Bernd; Somsen, Govert W.; Pirok, Bob W. J.
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errSave
Linear Scaling Relationships to Predict pKa's and Reduction Potentials for Bioinspired Hydrogenase Catalysis
errINORGANIC CHEMISTRY
IF4.7
err2021-12-26
err2
errOAAI
errPuthenkalathil, Rakesh C.; Ensing, Bernd
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Bayesian optimization of comprehensive two-dimensional liquid chromatography separations
errJOURNAL OF CHROMATOGRAPHY A
IF4
err2021-12-01
err19
errOAAI
errBoelrijk, Jim; Pirok, Bob; Ensing, Bernd; Forre, Patrick
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errSave
Discovering Collective Variables of Molecular Transitions via Genetic Algorithms and Neural Networks
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-03-04
err36
errOAAI
errHooft, Ferry; Ortiz, Alberto Perez de Alba; Ensing, Bernd
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Strong Reduction of the Chain Rigidity of Hyaluronan by Selective Binding of Ca2+ Ions
errMACROMOLECULES
IF5.2
err2021-01-19
err18
errOAAI
errGiubertoni, Giulia; Ortiz, Alberto Perez de Alba; Bano, Fouzia; Zhang, Xing; Linhardt, Robert J.; Green, Dixy E.; DeAngelis, Paul L.; Koenderink, Gijsje H.; Richter, Ralf P.; Ensing, Bernd; Bakker, Huib J.
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Accurate calculation of zero point energy from molecular dynamics simulations of liquids and their mixtures
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-12-30
err9
PREAI
errTiwari, A.; Honingh, C.; Ensing, B.
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errSave
Promoting transparency and reproducibility in enhanced molecular simulations
errNATURE METHODS
IF32.1
err2019-07-30
err715
errOAAI
errBonomi, Massimiliano; Bussi, Giovanni; Camilloni, Carlo; Tribello, Gareth A.; Banas, Pavel; Barducci, Alessandro; Bernetti, Mattia; Bolhuis, Peter G.; Bottaro, Sandro; Branduardi, Davide; Capelli, Riccardo; Carloni, Paolo; Ceriotti, Michele; Cesari, Andrea; Chen, Haochuan; Chen, Wei; Colizzi, Francesco; De, Sandip; De La Pierre, Marco; Donadio, Davide; Drobot, Viktor; Ensing, Bernd; Ferguson, Andrew L.; Filizola, Marta; Fraser, James S.; Fu, Haohao; Gasparotto, Piero; Gervasio, Francesco Luigi; Giberti, Federico; Gil-Ley, Alejandro; Giorgino, Toni; Heller, Gabriella T.; Hocky, Glen M.; Iannuzzi, Marcella; Invernizzi, Michele; Jelfs, Kim E.; Jussupow, Alexander; Kirilin, Evgeny; Laio, Alessandro; Limongelli, Vittorio; Lindorff-Larsen, Kresten; Lohr, Thomas; Marinelli, Fabrizio; Martin-Samos, Layla; Masetti, Matteo; Meyer, Ralf; Michaelides, Angelos; Molteni, Carla; Morishita, Tetsuya; Nava, Marco; Paissoni, Cristina; Papaleo, Elena; Parrinello, Michele; Pfaendtner, Jim; Piaggi, Pablo; Piccini, GiovanniMaria; Pietropaolo, Adriana; Pietrucci, Fabio; Pipolo, Silvio; Provasi, Davide; Quigley, David; Raiteri, Paolo; Raniolo, Stefano; Rydzewski, Jakub; Salvalaglio, Matteo; Sosso, Gabriele Cesare; Spiwok, Vojtech; Sponer, Jiri; Swenson, David W. H.; Tiwary, Pratyush; Valsson, Omar; Vendruscolo, Michele; Voth, Gregory A.; White, Andrew
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On the origin of the extremely different solubilities of polyethers in water
errNATURE COMMUNICATIONS
IF15.7
err2019-06-28
err106
errOAAI
errEnsing, Bernd; Tiwari, Ambuj; Tros, Martijn; Hunger, Johannes; Domingos, Sergio R.; Perez, Cristobal; Smits, Gertien; Bonn, Mischa; Bonn, Daniel; Woutersen, Sander
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Cooperative Role of Water Molecules during the Initial Stage of Water-Induced Zeolite Dealumination
errACS CATALYSIS
IF13.1
err2019-05-03
err64
errOAAI
errStanciakova, Katarina; Ensing, Bernd; Goltl, Florian; Bulo, Rosa E.; Weckhuysen, Bert M.
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Double helical conformation and extreme rigidity in a rodlike polyelectrolyte
errNATURE COMMUNICATIONS
IF15.7
err2019-02-18
err48
errOAAI
errWang, Ying; He, Yadong; Yu, Zhou; Gao, Jianwei; ten Brinck, Stephanie; Slebodnick, Carla; Fahs, Gregory B.; Zanelotti, Curt J.; Hegde, Maruti; Moore, Robert B.; Ensing, Bernd; Dingemans, Theo J.; Qiao, Rui; Madsen, Louis A.
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Advances in enhanced sampling along adaptive paths of collective variables
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-06-13
err29
errOAAI
errOrtiz, A. Perez de Alba; Tiwari, A.; Puthenkalathil, R. C.; Ensing, B.
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errSave
Impact of the Ligand Flexibility and Solvent on the O-O Bond Formation Step in a Highly Active Ruthenium Water Oxidation Catalyst
errINORGANIC CHEMISTRY
IF4.7
err2018-05-07
err49
errOAAI
errGovindarajan, Nitish; Tiwari, Ambuj; Ensing, Bernd; Meijer, Evert Jan
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errSave
A Free Energy Landscape of CO2 Capture by Frustrated Lewis Pairs
errACS CATALYSIS
IF13.1
err2018-03-12
err35
errOAAI
errLiu, Lei; Lukose, Binit; Ensing, Bernd
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Highly Selective Oxidation of Ethyl Lactate to Ethyl Pyruvate Catalyzed by Mesoporous Vanadia-Titania
errACS CATALYSIS
IF13.1
err2018-02-13
err47
errOAAI
errZhang, Wei; Innocenti, Giada; Oulego, Paula; Gitis, Vitaly; Wu, Haihong; Ensing, Bernd; Cavani, Fabrizio; Rothenberg, Gadi; Shiju, N. Raveendran
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Research Directions

No research directions
Co-authors
Cooperation Journals
M
Michele Parrinello
H-index: 155 · Papers: 924
B
Bert M. Weckhuysen
H-index: 134 · Papers: 1.2K
W
William H. Miller
H-index: 129 · Papers: 960
R
Robert J. Linhardt
H-index: 123 · Papers: 1.6K
M
Michael L. Klein
H-index: 120 · Papers: 1.2K
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