Victor Posligua

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Ricardo Grau-CrespoAssociate Professor of Materials Theory, Department of Chemistry, University of Reading, UK.Verified email at reading.ac.uk
Jose J. PlataUniversidad de SevillaVerified email at us.es
Antonio M. MarquezUniversidad de SevillaVerified email at us.es
Siglinda PerathonerProf. Industrial Chemistry, Univ. Messina, Italy; ERIC; INSTM/CASPEVerified email at unime.it
Rosa ArrigoUniversity of SalfordVerified email at salford.ac.uk
Peter P WellsUniversity of SouthamptonVerified email at soton.ac.uk
Juan J. Velasco-VelezALBA synchrotron light sourceVerified email at cells.es
Manfred Erwin SchusterJohnson MattheyVerified email at matthey.com
Gabriele CentiFull Prof. Industrial Chemistry at the Univ. Messina, Italy; INSTM/CASPE; ERICVerified email at unime.it
Diego GianolioBeamline Scientist, Diamond Light Source LtdVerified email at diamond.ac.uk
Emma Kate GibsonResearch Fellow, University of GlasgowVerified email at glasgow.ac.uk
Giannantonio CibinPrincipal Beamline Scientist, Diamond Light Source Ltd.Verified email at diamond.ac.uk
Alex AzizLecturer, Manchester Metropolitan UniversityVerified email at mmu.ac.uk
Martin D. PeeksUniversity of New South WalesVerified email at unsw.edu.au
Peter HarrisUniversity of BristolVerified email at bristol.ac.uk
Rachel Crespo-OteroAssociate Professor at University College LondonVerified email at qmul.ac.uk
Said Hamad GómezAssociate Professor in Physical Chemistry, Universidad Pablo de Olavide, SevilleVerified email at upo.es
Miguel RiveraResearch Assistant, Imperial CollegeVerified email at qmul.ac.uk
F. Javier Torres / orcid.org/0000-0001-...Grupo de Química Computacional y Teórica (QCT-USFQ), Departamento de Ingeniería Química, USFQVerified email at usfq.edu.ec
JC Soetens Bordeaux UniversityVerified email at u-bordeaux.fr

Victor Posligua

Postdoctoral Researcher in Computational Materials Science, Universidad de Sevilla

Verified email at us.es

Machine Learning Computational Chemistry Catalysis Materials Science Thermoelectrics


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Operando spectroscopy study of the carbon dioxide electro-reduction by iron species on nitrogen-doped carbon C Genovese, ME Schuster, EK Gibson, D Gianolio, V Posligua, ... Nature communications 9 (1), 935, 2018	200	2018
Charting the Lattice Thermal Conductivities of I–III–VI₂ Chalcopyrite Semiconductors JJ Plata, V Posligua, AM Márquez, J Fernandez Sanz, R Grau-Crespo Chemistry of Materials 34 (6), 2833-2841, 2022	30	2022
Band structures of periodic porphyrin nanostructures V Posligua, A Aziz, R Haver, MD Peeks, HL Anderson, R Grau-Crespo The Journal of Physical Chemistry C 122 (41), 23790-23798, 2018	22	2018
Into the unknown: how computation can help explore uncharted material space AM Mroz, V Posligua, A Tarzia, EH Wolpert, KE Jelfs Journal of the American Chemical Society 144 (41), 18730-18743, 2022	20	2022
Orientational self-sorting in cuboctahedral Pd cages RJ Li, A Tarzia, V Posligua, KE Jelfs, N Sanchez, A Marcus, A Baksi, ... Chemical Science 13 (40), 11912-11917, 2022	17	2022
Non‐born–oppenheimer nuclear and electronic densities for a hooke‐coulomb model for a four‐particle system M Becerra, V Posligua, EV Ludena International Journal of Quantum Chemistry 113 (10), 1584-1590, 2013	16	2013
The closed-edge structure of graphite and the effect of electrostatic charging V Posligua, J Bustamante, CH Zambrano, PJF Harris, R Grau-Crespo RSC advances 10 (13), 7994-8001, 2020	15	2020
Engineering the electronic and optical properties of 2D porphyrin-paddlewheel metal-organic frameworks V Posligua, D Pandya, A Aziz, M Rivera, R Crespo-Otero, S Hamad, ... Journal of Physics: Energy 3 (3), 034005, 2021	12	2021
Harnessing the unusually strong improvement of thermoelectric performance of AgInTe 2 with nanostructuring JJ Plata, EJ Blancas, AM Márquez, V Posligua, JF Sanz, R Grau-Crespo Journal of Materials Chemistry A 11 (31), 16734-16742, 2023	5	2023
Theoretical evaluation of metal-functionalized rccc R-pyrogallol [4] arenes as media for molecular hydrogen storage V Posligua, AS Urbina, L Rincon, JC Soetens, MA Mendez, CH Zambrano, ... Computational and Theoretical Chemistry 1073, 75-83, 2015	3	2015
Emerging properties from mechanical tethering within a post-synthetically functionalised catenane scaffold NH Pérez, PS Sherin, V Posligua, JL Greenfield, MJ Fuchter, KE Jelfs, ... Chemical Science 13 (38), 11368-11375, 2022	2	2022
Theoretical Investigation of the Lattice Thermal Conductivities of II–IV–V₂ Pnictide Semiconductors V Posligua, JJ Plata, AM Márquez, JF Sanz, R Grau-Crespo ACS Applied Electronic Materials, 2023	1	2023
High-throughput and accurate prediction of the thermal and electron transport properties of large chemical spaces accelerated by machine learning JJ Plata, AM Márquez, EJ Blancas, V Posligua, R Grau-Crespo, JF Sanz Thermoelectrics, 2023		2023
Modelling the lattice thermal conductivity of skutterudites: ab-initio calculations, machine learning and more ER Remesal, AM Márquez, EJ Blancas, V Posligua, JJ Plata, JF Sanz Thermoelectrics, 2023		2023
Charting the Lattice Thermal Conductivities of I-III-VI2Chalcopyrite Semiconductors JJ Plata Ramos, V Posligua, AM Márquez Cruz, J Fernández Sanz, ... Chemistry of Materials, 34 (6), 2833-2841., 2022		2022
Density Functional Theory Investigation of Carbon-and Porphyrin-based Nanostructures VH Posligua Hernandez University of Reading, 2021		2021
Evaluación Teórica de rccc R-Pirogalol [4] arenos Funcionalizados con Metales como Medio para el Almacenamiento de Hidrógeno Molecular VH Posligua UNIVERSIDAD SAN FRANCISCO DE QUITO, 2015		2015
Evaluación teórica de rccc R-Pirogalo [4] arenos funcionalizados con metales como medio para el almacenamiento de Hidrógeno Molecular ensayos o artículos académicos VH Posligua Hernández Quito: USFQ, 2015., 2015		2015
Estudio Teórico Cuanto Mecánico de Cristales Formados por Nanoclusters de Nitruro de Boro [BiNi, i= 12] V Posligua, CH Zambrano, FJ Torres ACI Avances en Ciencias e Ingenierías 5 (1), 2013		2013
Estudio cuanto-mecánico de la adsorción de H2 en cristales formados por Nanoclusters de Nitruro de Boro [BiNi, i= 12]. VH Posligua Hernández Quito, 2012., 2012		2012

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