Search results
Results: 8
Number of items: 8
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Jung, H., Covino, R., Arjun, A., Leitold, C., Dellago, C., Bolhuis, P. G., & Hummer, G. (2023, March 7). Machine-guided path sampling to discover mechanisms of molecular self-organization (Training and validation data) [Data set]. Zenodo. https://doi.org/10.5281/zenodo.7704969
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Arjun, A., & Bolhuis, P. G. (2023). Homogeneous nucleation of crystalline methane hydrate in molecular dynamics transition paths sampled under realistic conditions. Journal of Chemical Physics, 158(4), Article 044504. https://doi.org/10.1063/5.0124852 -
Jung, H., Covino, R., Arjun, A., Leitold, C., Dellago, C., Bolhuis, P. G., & Hummer, G. (2023). Machine-guided path sampling to discover mechanisms of molecular self-organization. Nature Computational Science, 3(4), 334-345. https://doi.org/10.1038/s43588-023-00428-z
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Arjun, A., & Bolhuis, P. G. (2021). Homogenous nucleation rate of CO2 hydrates using transition interface sampling. Journal of Chemical Physics, 154(16), Article 164507. https://doi.org/10.1063/5.0044883
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Frassek, M., Arjun, A., & Bolhuis, P. G. (2021). An extended autoencoder model for reaction coordinate discovery in rare event molecular dynamics datasets. Journal of Chemical Physics, 155(6), Article 064103. https://doi.org/10.1063/5.0058639
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Arjun, A., & Bolhuis, P. G. (2021). Molecular Understanding of Homogeneous Nucleation of CO2 Hydrates Using Transition Path Sampling. Journal of Physical Chemistry B, 125(1), 338-349. https://doi.org/10.1021/acs.jpcb.0c09915
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Arjun, A., & Bolhuis, P. G. (2020). Rate Prediction for Homogeneous Nucleation of Methane Hydrate at Moderate Supersaturation Using Transition Interface Sampling. Journal of Physical Chemistry B, 124(37), 8099-8109. https://doi.org/10.1021/acs.jpcb.0c04582
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