Theory - Publicaciones del año 2025

5. B. Kumanek, K. Milowska, M. Stachura, T. Wasiak, K. Matuszek, M. Payne, D. MacFarlane and D. Janas
Materials Chemistry Frontiers 9, 1431 (2025)
Robust doping of single-walled carbon nanotubes with ionic liquids: experiment and first-principles modeling

4. G. Tribello, M. Bonomi, G. Bussi, C. Camilloni, B. Armstrong, A. Arsiccio, S. Aureli, F. Ballabio, M. Bernetti, L. Bonati, S. Brookes, Z. Brotzakis, R. Capelli, M. Ceriotti, K. Chan, P. Cossio, S. Dasetty, D. Donadio, B. Ensing, A. Ferguson, G. Fraux, J. Gale, F. Gervasio, T. Giorgino, N. Herringer, G. Hocky, S. Hoff, M. Invernizzi, O. Languin-Cattoen, V. Leone, V. Limongelli, O. Lopez-Acevedo, F. Marinelli, P. Martinez, M. Masetti, S. Mehdi, A. Michaelides, M. Murtada, M. Parrinello, P. Piaggi, A. Pietropaolo, F. Pietrucci, S. Pipolo, C. Pritchard, P. Raiteri, S. Raniolo, D. Rapetti, V. Rizzi, J. Rydzewski, M. Salvalaglio, C. Schran, A. Seal, A. Zadeh, T. Silva, V. Spiwok, G. Stirnemann, D. Sucerquia, P. Tiwary, O. Valsson, M. Vendruscolo, G. Voth, A. White and J. Wu
JOURNAL OF CHEMICAL PHYSICS 162, 092501 (2025)
PLUMED Tutorials: A collaborative, community-driven learning ecosystem

3. G. Massillon-JL, A. Correa, X. Andrade and E. Artacho
Physical Review Letters 134, 076401 (2025)
Anomalies in the Electronic Stopping of Slow Antiprotons in LiF

2. A. Minkin, I. Lebedeva, A. Popov, S. Vyrko, N. Poklonski and Y. Lozovik
PHYSICAL REVIEW MATERIALS 9, 024002 (2025)
Restriction of macroscopic structural superlubricity due to structure relaxation by the example of twisted graphene bilayer

1. S. Salaverria, M. Irizar, J. Janeiro, P. Angulo-Portugal, T. Wang, J. Calupitan, J. Rodriguez-Fernandez, A. Garcia-Lekue, M. Corso, E. Artacho, D. Pena, D. Perez and D. de Oteyza
Chemistry-A European Journal , (2025)
Synthesis and Characterization of a Non-Planar Cyclophenylene on Au(111)