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Collaborations and top research areas from the last five years
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The interaction mechanisms of water and epoxy resin monomeric precursors: A molecular dynamics and DFT study
Hernández-Bravo, R., Díaz-Esqueda, D., Díaz-Barrios, A., Camacho, N., Piedra, S. & Mujica, V., Jun 2026, In: Computational and Theoretical Chemistry. 1260, 115779.Research output: Contribution to journal › Article › peer-review
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A first-principles DFT study and molecular dynamics simulation of the mechanism of water adsorption in polyamide-6
Mujica, R. A., Hernández-Bravo, R., Parra, J. G., Iza, P., Camacho, N., Mondragón-Rodríguez, G. C., Ramos-Grez, J. A. & Mujica, V., Dec 2025, In: Computational and Theoretical Chemistry. 1254, 115462.Research output: Contribution to journal › Article › peer-review
Open Access2 Link opens in a new tab Scopus citations -
Chirality-encoded molecular wavefunctions
Georgiou, T., Palma, J. L., Mujica, V., Schwartz, R. N. & Bouchard, L. S., Nov 28 2025, In: Journal of Chemical Physics. 163, 20, 204104.Research output: Contribution to journal › Article › peer-review
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Dipole-Induced Inversion of Spin-Dependent Charge Transport through α-Helical Peptide-Based Single-Molecule Junctions
Aragonès, A. C., Varese, M., Garg, K., Kuang, W., Wang, Q., Giralt, E., Mujica, V., Gutierrez, R., Cuniberti, G., Puerta, L. & Díez-Pérez, I., Oct 8 2025, In: Journal of the American Chemical Society. 147, 40, p. 36453-36463 11 p.Research output: Contribution to journal › Article › peer-review
Open Access2 Link opens in a new tab Scopus citations -
Residual charge dependence of spin transport in chiral biomolecules
Galante, M., Tarakeshwar, P., Palma, J. L., Rajh, T. & Mujica, V., Nov 7 2025, In: The Journal of chemical physics. 163, 17Research output: Contribution to journal › Article › peer-review
Projects
- 6 Finished
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Chirality, Spin Coherence and Entanglement in Quantum Biology
Mujica, V. (PI)
3/1/22 → 2/28/25
Project: Research project
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QLCI-CG: Institute for Chiral-Quantum Materials Interfaces (ICQMI)
Mujica, V. (PI), Yarger, J. (CoI), Culbertson, R. (CoI), Goodnick, S. (CoI), Ghirlanda, G. (CoI), Tongay, S. A. (CoI), Graves, W. (CoI) & Sanchez Botana, A. (CoI)
National Science Foundation (NSF)
8/15/19 → 7/31/23
Project: Research project
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Energy Efficient Electrochemical Capture and Release of Carbon Dioxide
Friesen, C. (CoI), Mujica, V. (CoI) & Stechel, E. (CoI)
DOE: Advanced Research Projects Agency-Energy (ARPA-E)
3/12/13 → 2/28/17
Project: Research project
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Transport-Enhanced Thermogalvanic Energy Conversion
Mujica, V. (PI) & Phelan, P. (CoI)
National Science Foundation (NSF)
9/15/12 → 8/31/17
Project: Research project
Datasets
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Supplementary Material for publication
Varela, S. (Creator), Gutierrez, R. (Creator), Cuniberti, G. (Creator), Medina, E. (Creator) & Mujica, V. (Creator), AIP Publishing, 2024
DOI: 10.60893/figshare.jcp.26838619.v1, https://aip.figshare.com/articles/media/Supplementary_Material_for_publication/26838619/1
Dataset
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CCDC 1990182: Experimental Crystal Structure Determination
San Sebastian, E. (Contributor), Cepeda, J. (Contributor), Huizi-Rayo, U. (Contributor), Terenzi, A. (Contributor), Finkelstein-Shapiro, D. (Contributor), Padro, D. (Contributor), Santos, J. I. (Contributor), Matxain, J. M. (Contributor), Ugalde, J. M. (Contributor) & Mujica, V. (Contributor), The Cambridge Structural Database, 2020
DOI: 10.5517/ccdc.csd.cc24syfb, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc24syfb&sid=DataCite
Dataset
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CCDC 2073558: Experimental Crystal Structure Determination
Ortuño, A. M. (Contributor), Reiné, P. (Contributor), Resa, S. (Contributor), Álvarez De Cienfuegos, L. (Contributor), Blanco, V. (Contributor), Paredes, J. M. (Contributor), Mota, A. J. (Contributor), Mazzeo, G. (Contributor), Abbate, S. (Contributor), Ugalde, J. M. (Contributor), Mujica, V. (Contributor), Longhi, G. (Contributor), Miguel, D. (Contributor) & Cuerva, J. M. (Contributor), Cambridge Crystallographic Data Centre, 2021
DOI: 10.5517/ccdc.csd.cc27lpzj, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc27lpzj&sid=DataCite
Dataset
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CCDC 1031789: Experimental Crystal Structure Determination
Roy, S. (Creator), Mazinani, S. K. S. (Creator), Groy, T. L. (Creator), Gan, L. (Creator), Tarakeshwar, P. (Creator), Mujica, V. (Creator) & Jones, A. K. (Creator), The Cambridge Structural Database, 2014
DOI: 10.5517/cc13mnjx, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc13mnjx&sid=DataCite
Dataset
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CCDC 1031790: Experimental Crystal Structure Determination
Roy, S. (Creator), Mazinani, S. K. S. (Creator), Groy, T. L. (Creator), Gan, L. (Creator), Tarakeshwar, P. (Creator), Mujica, V. (Creator) & Jones, A. K. (Creator), The Cambridge Structural Database, 2014
DOI: 10.5517/cc13mnky, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc13mnky&sid=DataCite
Dataset