| Adsorption of common solvent molecules on graphene and MoS2 from first-principles U Patil, NM Caffrey The Journal of Chemical Physics 149 (9), 2018 | 28 | 2018 |
| Composition dependence of the charge-driven phase transition in group-VI transition metal dichalcogenides U Patil, NM Caffrey Physical Review B 100 (7), 075424, 2019 | 18 | 2019 |
| Linear Jacobi-Legendre expansion of the charge density for machine learning-accelerated electronic structure calculations B Focassio, M Domina, U Patil, A Fazzio, S Sanvito npj Computational Materials 9 (1), 87, 2023 | 11 | 2023 |
| Cluster expansion constructed over Jacobi-Legendre polynomials for accurate force fields M Domina, U Patil, M Cobelli, S Sanvito Physical Review B 108 (9), 094102, 2023 | 9 | 2023 |
| Resonant enhancement in nanostructured thermoelectric performance via electronic thermal conductivity engineering U Patil, B Muralidharan Physica E: Low-dimensional Systems and Nanostructures 85, 27-33, 2017 | 6 | 2017 |
| The role of solvent interfacial structural ordering in maintaining stable graphene dispersions U Patil, NM Caffrey 2D Materials 11 (1), 015017, 2023 | 2 | 2023 |
| Covariant Jacobi-Legendre expansion for total energy calculations within the projector-augmented-wave formalism B Focassio, M Domina, U Patil, A Fazzio, S Sanvito arXiv preprint arXiv:2408.08876, 2024 | | 2024 |
| Predicting the One-Particle Density Matrix with Machine Learning S Hazra, U Patil, S Sanvito Journal of Chemical Theory and Computation, 2024 | | 2024 |
| The Jacobi-Legendre potential M Domina, U Patil, M Cobelli, S Sanvito arXiv preprint arXiv:2208.10292, 2022 | | 2022 |
| Exfoliating Two-Dimensional Layered Materials: Solvent Interactions from First-Principles U Patil Trinity College Dublin. School of Physics. Discipline of Physics, 2021 | | 2021 |
| Adsorption of common solvent molecules on graphene and MoS2 from first-principles N Caffrey, U Patil | | 2018 |
Nuala CaffreyUniversity College DublinVerified email at ucd.ie
