  | BARBORINI, M., CHARRY MARTINEZ, J. A., DITTE, M., LEVENTIS, A., KAFANAS, G., & TKATCHENKO, A. (12 February 2026). QMeCha: Quantum Monte Carlo package for fermions in embedding environments. Journal of Chemical Physics, 164 (6). doi:10.1063/5.0311994  Peer Reviewed verified by ORBi |
 | Della Pia, F., Shi, B. X., AL-HAMDANI, Y., Alfé, D., Anderson, T. A., BARBORINI, M., Benali, A., Casula, M., Drummond, N. D., Dubecký, M., Filippi, C., Kent, P. R. C., Krogel, J. T., López Ríos, P., Lüchow, A., Luo, Y., Michaelides, A., Mitas, L., Nakano, K., ... Zen, A. (14 September 2025). Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer. Journal of Chemical Physics, 163 (10). doi:10.1063/5.0272974 Peer Reviewed verified by ORBi |
  | DITTE, M., BARBORINI, M., & TKATCHENKO, A. (2025). Molecule-Environment Embedding with Quantum Monte Carlo: Electrons Interacting with Drude Oscillators. Journal of Chemical Theory and Computation. doi:10.1021/acs.jctc.5c00108 Peer Reviewed verified by ORBi |
 | CHARRY MARTINEZ, J. A., BARBORINI, M., & TKATCHENKO, A. (2025). Unraveling chemical bonding mechanisms through dipole moment variations under external electric fields. Physical Chemistry Chemical Physics. doi:10.1039/d5cp02953h Peer Reviewed verified by ORBi |
 | DITTE, M., BARBORINI, M., & TKATCHENKO, A. (06 March 2024). Quantum Drude oscillators coupled with Coulomb potential as an efficient model for bonded and non-covalent interactions in atomic dimers. Journal of Chemical Physics, 160 (9), 094309. doi:10.1063/5.0196690 Peer Reviewed verified by ORBi |
 | DITTE, M., BARBORINI, M., MEDRANO SANDONAS, L., & TKATCHENKO, A. (30 November 2023). Molecules in Environments: Toward Systematic Quantum Embedding of Electrons and Drude Oscillators. Physical Review Letters, 131 (22). doi:10.1103/physrevlett.131.228001 Peer Reviewed verified by ORBi |
 | BARBORINI, M., Calandra, M., Mauri, F., WIRTZ, L., & CUDAZZO, P. L. (2022). Excitonic-insulator instability and Peierls distortion in one-dimensional semimetals. Physical Review. B, 105 (7), 075122. doi:10.1103/PhysRevB.105.075122 Peer Reviewed verified by ORBi |
 | CHARRY MARTINEZ, J. A., Moncada, F., BARBORINI, M., Pedraza González, L. M., Varella, M. T., TKATCHENKO, A., & Reyes, A. (2022). The three-center two-positron bond. Chemical Science. doi:10.1039/D2SC04630J Peer Reviewed verified by ORBi |
 | CHARRY MARTINEZ, J. A., BARBORINI, M., & TKATCHENKO, A. (2022). Correlated Wave Functions for Electron–Positron Interactions in Atoms and Molecules. Journal of Chemical Theory and Computation, 18 (4), 2267–2280. doi:10.1021/acs.jctc.1c01193 Peer reviewed |
 | Nakano, K., Attaccalite, C., BARBORINI, M., Capriotti, L., Casula, M., Coccia, E., Dagrada, M., Genovese, C., Luo, Y., Mazzola, G., Zen, A., & Sorella, S. (29 May 2020). TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo. Journal of Chemical Physics, 152 (20), 204121. doi:10.1063/5.0005037 Peer Reviewed verified by ORBi |
 | BARBORINI, M., Sorella, S., Rontani, M., & Corni, S. (21 October 2018). Angle-resolved photoemission spectroscopy from first-principles quantum Monte Carlo. Journal of Chemical Physics, 149 (15), 154102. doi:10.1063/1.5038864 Peer Reviewed verified by ORBi |
 | Varsano, D., Sorella, S., Sangalli, D., BARBORINI, M., Corni, S., Molinari, E., & Rontani, M. (13 November 2017). Carbon nanotubes as excitonic insulators. Nature Communications, 8 (1), 1461. doi:10.1038/s41467-017-01660-8 Peer Reviewed verified by ORBi |
 | Chu, S., Coccia, E., BARBORINI, M., & Guidoni, L. (13 December 2016). Role of Electron Correlation along the Water Splitting Reaction. Journal of Chemical Theory and Computation, 12 (12), 5803 - 5810. doi:10.1021/acs.jctc.6b00632 Peer Reviewed verified by ORBi |
 | BARBORINI, M., Sorella, S., Rontani, M., & Corni, S. (08 November 2016). Correlation Effects in Scanning Tunneling Microscopy Images of Molecules Revealed by Quantum Monte Carlo. Journal of Chemical Theory and Computation, 12 (11), 5339 - 5349. doi:10.1021/acs.jctc.6b00710 Peer Reviewed verified by ORBi |
 | BARBORINI, M., & Guidoni, L. (28 September 2016). Geometries of low spin states of multi-centre transition metal complexes through extended broken symmetry variational Monte Carlo. Journal of Chemical Physics, 145 (12), 124107. doi:10.1063/1.4963015 Peer Reviewed verified by ORBi |
 | BARBORINI, M. (17 March 2016). Neutral, Anionic, and Cationic Manganese Dimers through Density Functional Theory. Journal of Physical Chemistry. A, 120 (10), 1716 - 1726. doi:10.1021/acs.jpca.5b12169 Peer Reviewed verified by ORBi |
 | BARBORINI, M., & Coccia, E. (08 December 2015). Investigating Disjoint Non-Kekulé Diradicals with Quantum Monte Carlo: The Tetramethyleneethane Molecule through the Jastrow Antisymmetrized Geminal Power Wave Function. Journal of Chemical Theory and Computation, 11 (12), 5696 - 5704. doi:10.1021/acs.jctc.5b00819 Peer Reviewed verified by ORBi |
 | BARBORINI, M., & Guidoni, L. (08 September 2015). Ground State Geometries of Polyacetylene Chains from Many-Particle Quantum Mechanics. Journal of Chemical Theory and Computation, 11 (9), 4109 - 4118. doi:10.1021/acs.jctc.5b00427 Peer Reviewed verified by ORBi |
 | BARBORINI, M., & Guidoni, L. (10 February 2015). π-Conjugation in trans-1,3-butadiene: static and dynamical electronic correlations described through quantum Monte Carlo. Journal of Chemical Theory and Computation, 11 (2), 508 - 517. doi:10.1021/ct501157f Peer Reviewed verified by ORBi |
 | Varsano, D., BARBORINI, M., & Guidoni, L. (07 February 2014). Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities. Journal of Chemical Physics, 140 (5). doi:10.1063/1.4863213 Peer Reviewed verified by ORBi |
 | BARBORINI, M., & Guidoni, L. (14 December 2012). Reaction pathways by quantum Monte Carlo: Insight on the torsion barrier of 1,3-butadiene, and the conrotatory ring opening of cyclobutene. Journal of Chemical Physics, 137 (22). doi:10.1063/1.4769791 Peer Reviewed verified by ORBi |
 | Coccia, E., Chernomor, O., BARBORINI, M., Sorella, S., & Guidoni, L. (12 June 2012). Molecular Electrical Properties from Quantum Monte Carlo Calculations: Application to Ethyne. Journal of Chemical Theory and Computation, 8 (6), 1952 - 1962. doi:10.1021/ct300171q Peer Reviewed verified by ORBi |
 | BARBORINI, M., Sorella, S., & Guidoni, L. (10 April 2012). Structural Optimization by Quantum Monte Carlo: Investigating the Low-Lying Excited States of Ethylene. Journal of Chemical Theory and Computation, 8 (4), 1260 - 1269. doi:10.1021/ct200724q Peer Reviewed verified by ORBi |
