Zhang, Y., Liu, X., van Duin, A. C. T., Lu, X., & Meijer, E. J. (2024). Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling. Journal of Chemical Physics, 160(9), Article 094103. https://doi.org/10.1063/5.0194486

Ran, Y. A., Sharma, S., Balestra, S. R. G., Li, Z., Calero, S., Vlugt, T. J. H., Snurr, R. Q., & Dubbeldam, D. (2024). RASPA3: A Monte Carlo code for computing adsorption and diffusion in nanoporous materials and thermodynamics properties of fluids. Journal of Chemical Physics, 161(11), Article 114106. https://doi.org/10.1063/5.0226249

Krishna, R. (2024). Fundamental Insights into Intracrystalline Diffusional Influences on Mixture Separations in Fixed Bed Adsorbers. Chem & Bio Engineering, 1(1), 53-66. https://doi.org/10.1021/cbe.3c00057

Sharma, S., Baur, R., Rigutto, M., Zuidema, E., Agarwal, U., Calero, S., Dubbeldam, D., & Vlugt, T. J. H. (2024). Computing Entropy for Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization. Entropy, 26(12), Article 1120. https://doi.org/10.3390/e26121120

Mohr, B., van Heesch, T., Pérez de Alba Ortíz, A., & Vreede, J. (2024). Enhanced sampling strategies for molecular simulation of DNA. Wiley interdisciplinary reviews. Computational molecular science , 14(2), Article e1712. https://doi.org/10.1002/wcms.1712

del Razo, M. J., Crommelin, D., & Bolhuis, P. G. (2024). Data-driven dynamical coarse-graining for condensed matter systems. Journal of Chemical Physics, 160(2), Article 024108. https://doi.org/10.1063/5.0177553

van't Hoff, T. E., Harmon, R. E., Orlova, Y., Hermans, J. J., Gambardella, A., & Iedema, P. D. (2024). Experimental validation of a reaction network model for autoxidation of linoleate esters. Progress in Organic Coatings, 189, Article 108363. https://doi.org/10.1016/j.porgcoat.2024.108363

Chen, Y., Wu, Z., Fan, L., Krishna, R., Huang, H., Wang, Y., Xiong, Q., Li, J., & Li, L. (2024). Direct Ethylene Purification from Cracking Gas via a Metal-Organic Framework Through Pore Geometry Fitting. Engineering, 41, 84-92. https://doi.org/10.1016/j.eng.2024.01.024

Acuna-Yeomans, E., Goosen, P. J., Gutierrez-Sevillano, J. J., Dubbeldam, D., & Calero, S. (2024). Effect of water loading on the stability of pristine and defective UiO-66. Journal of Materials Chemistry A, 12(37), 25233-25243. https://doi.org/10.1039/d4ta04252b

Yang, S.-Q., Krishna, R., Zhou, L., Li, Y.-L., Xing, B., Zhang, Q., Zhang, F.-Y., & Hu, T.-L. (2024). A thermostable calcium-based metal-organic framework for efficient capture and separation of acetylene from ternary mixture. Separation and Purification Technology, 329, Article 125167. https://doi.org/10.1016/j.seppur.2023.125167