Research output per year
Research output per year
Organisation profile
Introduction / mission
The Molecular Simulation & Modelling (MSiM) research group of Sofia Calero conducts research focusing on the study and design of nanostructured materials and complex molecules. With the help of molecular simulations, the group aims to provide a solid basis for the development of new multifunctional materials for adsorption/absorption, energetics and gas and liquid transport and reaction. The group is interested in processes that combined with control at the molecular level will have far reaching implications, both in basic science and in technological applications.
Highlighted phrase
INVENTING MATERIALS TO MEET TODAY'S ENERGY AND ENVIRONMENTAL CHALLENGES
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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Profiles
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Esteban Acuna Yeomans
- Applied Physics, Materials Simulation & Modelling - Doctoral Candidate
- Applied Physics, Molecular Simulation & Modelling
Person: Prom. : doctoral candidate (PhD)
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Sofia Calero
- Applied Physics, Materials Simulation & Modelling - Full Professor
- Applied Physics, Molecular Simulation & Modelling
Person: HGL : Professor
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Xiucheng Huang
- Applied Physics, Materials Simulation & Modelling - Doctoral Candidate
- Applied Physics, Molecular Simulation & Modelling
Person: Prom. : doctoral candidate (PhD), Prom. : doctoral candidate (PhD)
Research output
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Atomistic Insights Into the Degradation of Inorganic Halide Perovskite CsPbI3: A Reactive Force Field Molecular Dynamics Study
Pols, M., Vicent-Luna, J. M., Filot, I., van Duin, A. C. T. & Tao, S., 17 Jun 2021, In: The Journal of Physical Chemistry Letters. 12, 23, p. 5519-5525 7 p.Research output: Contribution to journal › Article › Academic › peer-review
Open Access -
Decoupling the effects of defects on efficiency and stability through phosphonates in stable halide perovskite solar cells
Xie, H., Wang, Z., Chen, Z., Pereyra, C., Pols, M., Gałkowski, K., Anaya, M., Fu, S., Jia, X., Tang, P., Kubicki, D. J., Agarwalla, A., Kim, H. S., Prochowicz, D., Borrisé, X., Bonn, M., Bao, C., Sun, X., Zakeeruddin, S. M., Emsley, L. & 10 others, , 19 May 2021, In: Joule. 5, 5, p. 1246-1266 21 p.Research output: Contribution to journal › Article › Academic › peer-review
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Effect of diol isomer/water mixtures on the stability of Zn-MOF-74
González-Galán, C., Balestra, S. R. G., Luna-Triguero, A., Madero-Castro, R. M., Zaderenko, A. P. & Calero, S., 7 Feb 2021, In: Dalton Transactions. 50, 5, p. 1808-1815 8 p.Research output: Contribution to journal › Article › Academic › peer-review
Open Access
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Physics@Veldhoven 2021
Dominika O. Wasik (Participant)
18 Jan 2021 → 20 Jan 2021Activity: Participating in or organising an event types › Conference › Scientific
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MolSim2021
Dominika O. Wasik (Participant)
4 Jan 2021 → 15 Jan 2021Activity: Participating in or organising an event types › Workshop, seminar, course or exhibition › Scientific