Publications

Recent articles

1. 1 Choline acetate/water mixtures: Physicochemical properties and structural organization
   E. Mangiacapre, Z. Barhoumi, M. Brehm, F. Castiglione, V. Di Lisio, A. Triolo, and O. Russina
   Molecules 30, 3403 (2025).
2. 2 Implementation of quasiclassical mapping approaches for nonadiabatic molecular dynamics in the PySurf package
   D. Picconi, M. F. S. J. Menger, E. Palacino-Gonzalez, E. X. Salazar, and S. Faraji
   Phys. Chem. Chem. Phys. , (2025).
3. 3 Modeling mechanochemistry: pressure dependence of Diels-Alder cycloaddition reaction kinetics
   N. Hopper, F. Sidoroff, J. Cayer-Barrioz, D. Mazuyer, B. Chen, and W. T. Tysoe
   RSC Mechanochem. 1, 402 (2024).
4. 4 Supramolecular chemistry in solution and solid-gas interfaces: synthesis and photophysical properties of monocolor and bicolor fluorescent sensors for barium tagging in neutrinoless double beta decay
   F. Auria-Luna, F. W. Foss Jr, J. Molina-Canteras, I. Velazco-Cabral, A. Marauri, A. Larumbe, B. Aparicio, J. L. Vazquez, N. Alberro, I. Arrastia, V. S. Nacianceno, A. Colom, C. Marcuello, B. J. P. Jones, D. Nygren, J. J. Gomez-Cadenas, C. Rogero, I. Rivilla, F. P. Cossio, and NEXT Collaboration, et al.
   RSC Appl. Interfaces 2, 185 (2025).
5. 5 Electrochemical transformation of copper sulfide electrodes for selective CO2-to-formate conversion
   R. Fernandez-Climent, D. Giusi, M. Miceli, C. A. Mesa, A. Gutierrez-Blanco, J. Li, J. Redondo, F. Schiller, S. Barja, V. Celorrio, N. Kornienko, C. Ampelli, and S. Gimenez
   ChemSusChem , 2501180 (2025).
6. 6 Accelerated design of gold nanoparticles with enhanced plasmonic performance
   J. L. Montano-Priede, A. Rao, A. Sanchez-Iglesias, and M. Grzelczak
   Sci. Adv. 11, eadx2299 (2025).
7. 7 Galaxy formation with wave/fuzzy dark matter: The core-halo structure and the solitonic imprint
   A. Pozo, R. Emami, P. Mocz, T. Broadhurst, L. Hernquist, M. Vogelsberger, R. Smith, G. Tremblay, R. Narayan, J. Steiner, J. Grindlay, and G. Smoot
   Astron. Astrophys. 699, A308 (2025).
8. 8 Redefining platinum(IV) chemotherapy: α-tocopherol succinate functionalization and nanoparticle encapsulation to improve cisplatin- and oxaliplatin-based therapies
   C. Marotta, D. Cirri, M. C. Maimone, C. Giacomelli, M. L. Trincavelli, L. Salassa, C. Gabbiani, and A. Pratesi
   Dalton Trans. , (2025).
9. 9 Electrostatic self-assembly-driven heterojunction of Cubic CeO2/g-C3N4 nanosheets for efficient photocatalytic hydrogen evolution and photoelectrocatalytic water splitting: A hybrid experimental and theoretical study
   A. Das, S. Gumber, N. C. Maji, S. B. Mishra, M. Preethi, P. Ningthoukhongjam, R. G. Nair, T. Abhijith, E. A. Kazakova, A. S. Vasenko, R. Madhumitha, and O. V. Prezhdo
   ACS Appl. Mater. Interfaces 17, 48941 (2025).
10. 10 Flashlights: Prospects for constraining the initial mass function around cosmic noon with caustic-crossing events
    A. K. Meena, S. K. Li, A. Zitrin, P. L. Kelly, T. Broadhurst, W. Chen, J. M. Diego, A. V. Filippenko, L. J. Furtak, and L. L. R. Williams
    Astron. Astrophys. 699, A299 (2025).
11. 11 Aromaticity and antiaromaticity in the cyclic 6π and 4π molecules of carbon and silicon E6H6 and E4H4 (E = C, Si)
    L. Zhao, Q. Ma, I. Fernandez, and G. Frenking
    Phys. Chem. Chem. Phys. , (2025).
12. 12 Multiband exact diagonalization and an iteration approach to search for fractional Chern insulators in rhombohedral multilayer graphene
    H. Li, B. A. Bernevig, and N. Regnault
    Phys. Rev. B 112, 075130 (2025).
13. 13 The formation and disruption of globular cluster populations in simulations of present-day L* galaxies with controlled assembly histories
    O. Newton, J. J. Davies, J. Pfeffer, R. A. Crain, J. M. D. Kruijssen, A. Pontzen, and N. Bastian
    Mon. Not. Roy. Astron. Soc. 542, 591 (2025).
14. 14 Moire fractional Chern insulators. III. Hartree-Fock phase diagram, magic angle regime for Chern insulator states, role of moiré potential, and Goldstone gaps in rhombohedral graphene superlattices
    Y. H. Kwan, J. Yu, J. Herzog-Arbeitman, D. K. Efetov, N. Regnault, and B. A. Bernevig
    Phys. Rev. B 112, 075109 (2025).
15. 15 Moiré fractional Chern insulators. IV. Fluctuation-driven collapse in multiband exact diagonalization calculations on rhombohedral graphene
    J. Yu, J. Herzog-Arbeitman, Y. H. Kwan, N. Regnault, and B. A. Bernevig
    Phys. Rev. B 112, 075110 (2025).
16. 16 Complementary molecular passivation of multiple surface defects for efficient and stable inverted perovskite solar cells
    Y. Zheng, T. Zheng, S. Luo, H. A. Tauqeer, Y. Zhuo, S. Cao, Z. Bi, L. G. Gutsev, D. Liu, B. R. Ramachandran, G. L. Gutsev, A. S. Vasenko, O. V. Prezhdo, and X. Xu
    Small , (2025).
17. 17 Polarons and exciton polarons in two-dimensional polar materials
    V. Shahnazaryan, A. Kullis, and V. Tokatly
    Phys. Rev. Lett. 135, 066202 (2025).
18. 18 Interfacial spin-orbit coupling in superconducting hybrid systems
    A. A. Mazanik, T. Kokkeler, I. V. Tokatly, and F. S. Bergeret
    Phys. Rev. B 112, 024514 (2025).
19. 19 Momentum-locked spin between topological and defect states in 1D patterns on bilayer graphene
    R. Guerrero-Aviles, A. Ayuela, L. Chico, W. Jaskolski, and M. Pelc
    Sci Rep 15, 28058 (2025).
20. 20 Moiré materials based on M-point twisting
    Dumitru Călugăru, Yi Jiang, Haoyu Hu, Hanqi Pi, Jiabin Yu, Maia G. Vergniory, Jie Shan, Claudia Felser, Leslie M. Schoop, Dmitri K. Efetov, Kin Fai Mak, and B. Andrei Bernevig
    Nature 643, 376–381 (2025).

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