| Orbital-free density functional theory for materials research WC Witt, BG Del Rio, JM Dieterich, EA Carter Journal of Materials Research 33 (7), 777-795, 2018 | 161 | 2018 |
| Longitudinal, transverse, and single-particle dynamics in liquid Zn: Ab initio study and theoretical analysis BG Del Rio, LE González Physical Review B 95 (22), 224201, 2017 | 34 | 2017 |
| An efficient deep learning scheme to predict the electronic structure of materials and molecules: The example of graphene-derived allotropes BG Del Rio, C Kuenneth, HD Tran, R Ramprasad The Journal of Physical Chemistry A 124 (45), 9496-9502, 2020 | 26 | 2020 |
| Globally-optimized local pseudopotentials for (orbital-free) density functional theory simulations of liquids and solids BG Del Rio, JM Dieterich, EA Carter Journal of Chemical Theory and Computation 13 (8), 3684-3695, 2017 | 23 | 2017 |
| Ab initio study of several static and dynamic properties of bulk liquid Ni near melting BG Del Rio, LE González, DJ González The Journal of Chemical Physics 146 (3), 2017 | 22 | 2017 |
| Orbital-free density functional theory simulation of collective dynamics coupling in liquid Sn BG Del Rio, M Chen, LE González, EA Carter The Journal of Chemical Physics 149 (9), 2018 | 21 | 2018 |
| Orbital free ab initio simulations of liquid alkaline earth metals: from pseudopotential construction to structural and dynamic properties BG del Rio, LE Gonzalez Journal of Physics: Condensed Matter 26 (46), 465102, 2014 | 21 | 2014 |
| First principles determination of static, dynamic and electronic properties of liquid Ti near melting BG Del Rio, O Rodriguez, LE González, DJ González Computational Materials Science 139, 243-251, 2017 | 20 | 2017 |
| A deep learning framework to emulate density functional theory BG del Rio, B Phan, R Ramprasad npj Computational Materials 9 (1), 158, 2023 | 19 | 2023 |
| An ab initio study of the structure and atomic transport in bulk liquid Ag and its liquid-vapor interface BG del Rio, DJ González, LE González Physics of Fluids 28 (10), 2016 | 15 | 2016 |
| Neutron Brillouin scattering and ab initio simulation study of the collective dynamics of liquid silver E Guarini, A De Francesco, U Bafile, A Laloni, BG del Rio, DJ González, ... Physical Review B 102 (5), 054210, 2020 | 14 | 2020 |
| Structure and dynamics of the liquid 3d transition metals near melting. An ab initio study BG Del Rio, C Pascual, LE González, DJ González Journal of Physics: Condensed Matter 32 (21), 214005, 2020 | 13 | 2020 |
| Vapor-Phase Infiltration of Polymer of Intrinsic Microporosity 1 (PIM-1) with Trimethylaluminum (TMA) and Water: A Combined Computational and Experimental Study Y Liu, EK McGuinness, BC Jean, Y Li, Y Ren, BG Rio, RP Lively, ... The Journal of Physical Chemistry B 126 (31), 5920-5930, 2022 | 11 | 2022 |
| First principles determination of some static and dynamic properties of the liquid 3 transition metals near melting BG Del Rio, C Pascual, O Rodriguez, LE González, DJ González arXiv preprint arXiv:2005.12691, 2020 | 6 | 2020 |
| First principles study of liquid uranium at temperatures up to 2050 K BG Del Rio, LE González, DJ González Journal of Physics: Condensed Matter 32 (30), 304001, 2020 | 5 | 2020 |
| Deuterium addition to liquid Li–Sn alloys: implications for plasma-facing applications BG Del Rio, GS Gautam, EA Carter Nuclear Fusion 60 (1), 016025, 2019 | 5 | 2019 |
| Depth-dependent dynamics of liquid metal surfaces with first principles simulations BG del Rio, LE González Acta Materialia 198, 281-289, 2020 | 4 | 2020 |
| Dynamic properties of liquid metals and their free surface with first principles molecular dynamics BG del Río Universidad de Valladolid, 2017 | 4 | 2017 |
| Orbital-free ab initio molecular dynamics study of the static structure and dynamic properties of the free liquid surface of Sn BG del Rio, LE González EPJ Web of Conferences 151, 03003, 2017 | 4 | 2017 |
| Local order and dynamic properties of liquid Agx-Sn1− x alloys by ab initio molecular dynamics BG del Rio, L Calderin, LE González, DJ González Journal of Non-Crystalline Solids 473, 179-187, 2017 | 3 | 2017 |