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Pérez de Alba Ortíz, A., Vreede, J., & Ensing, B. (2019). The Adaptive Path Collective Variable: A Versatile Biasing Approach to Compute the Average Transition Path and Free Energy of Molecular Transitions. In M. Bonomi, & C. Camilloni (Eds.), Biomolecular Simulations: Methods and Protocols (pp. 255–290). (Methods in Molecular Biology; Vol. 2022). Humana Press. https://doi.org/10.1007/978-1-4939-9608-7_11
Kılıç, M., & Ensing, B. (2019). Microscopic Picture of the Solvent Reorganization During Electron Transfer to Flavin in Water. Journal of Physical Chemistry B, 123(46), 9751-9761. https://doi.org/10.1021/acs.jpcb.9b07250
Krishna, R. (2019). Thermodynamic Insights into the Characteristics of Unary and Mixture Permeances in Microporous Membranes. ACS Omega, 4(5), 9512-9521. https://doi.org/10.1021/acsomega.9b00907
Burtch, N. C., Baxter, S. J., Heinen, J., Bird, A., Schneemann, A., Dubbeldam, D., & Wilkinson, A. P. (2019). Negative Thermal Expansion Design Strategies in a Diverse Series of Metal-Organic Frameworks. Advanced Functional Materials, 29(48), Article 1904669. https://doi.org/10.1002/adfm.201904669
Caratelli, C., Hajek, J., Meijer, E. J., Waroquier, M., & Van Speybroeck, V. (2019). Dynamic interplay between defective UiO-66 and protic solvents in activated processes. Chemistry - A European Journal, 25(67), 15315—15325. https://doi.org/10.1002/chem.201903178
Gonzalez, V., Cotte, M., Wallez, G., van Loon, A., de Nolf, W., Eveno, M., Keune, K., Noble, P., & Dik, J. (2019). Unraveling the Composition of Rembrandt's Impasto through the Identification of Unusual Plumbonacrite by Multimodal X‐ray Diffraction Analysis. Angewandte Chemie, 131(17), 5675-5678. https://doi.org/10.1002/ange.201813105, https://doi.org/10.1002/anie.201813105
Tiwari, A. (2019). Toward accurate simulation of electrocatalyzed water splitting: Enhanced quantum chemical dynamics simulations of proton and electron transfer reactions. [Thesis, fully internal, Universiteit van Amsterdam].
Caro-Ortiz, S., Hens, R., Zuidema, E., Rigutto, M., Dubbeldam, D., & Vlugt, T. J. H. (2019). Molecular simulation of the vapor-liquid equilibria of xylene mixtures: Force field performance, and Wolf vs. Ewald for electrostatic interactions. Fluid Phase Equilibria, 485, 239-247. https://doi.org/10.1016/j.fluid.2018.12.006
Matito-Martos, I., García-Reyes, J., Martin-Calvo, A., Dubbeldam, D., & Calero, S. (2019). Improving Ammonia Production Using Zeolites. Journal of Physical Chemistry C, 123(30), 18475-18481. https://doi.org/10.1021/acs.jpcc.9b05366
The PLUMED consortium (2019). Promoting transparency and reproducibility in enhanced molecular simulations. Nature Methods, 16(8), 670-673. https://doi.org/10.1038/s41592-019-0506-8

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