Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Prentice JCA"'
Autor:
Liu WC; Department of Materials, University of Oxford, 16 Parks Road, Oxford OX1 3PH, United Kingdom., Prentice JCA; Department of Materials, University of Oxford, 16 Parks Road, Oxford OX1 3PH, United Kingdom., Patrick CE; Department of Materials, University of Oxford, 16 Parks Road, Oxford OX1 3PH, United Kingdom., Watt AAR; Department of Materials, University of Oxford, 16 Parks Road, Oxford OX1 3PH, United Kingdom.
Publikováno v:
ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2024 Jan 24; Vol. 16 (3), pp. 4150-4159. Date of Electronic Publication: 2024 Jan 10.
Autor:
Heckelmann I; Cavendish Laboratory, University of Cambridge, Cambridge, CB30HE, UK.; Institute for Quantum Electronics, ETH Zürich, 8093, Zurich, Switzerland., Lu Z; Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge, CB21EW, UK., Prentice JCA; Department of Materials, University of Oxford, Oxford, OX13PH, UK., Auras F; Cavendish Laboratory, University of Cambridge, Cambridge, CB30HE, UK.; Department of Synthetic Materials and Functional Devices, Max Planck Institute of Microstructure Physics, 06120, Halle, Germany., Ronson TK; Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge, CB21EW, UK., Friend RH; Cavendish Laboratory, University of Cambridge, Cambridge, CB30HE, UK., Nitschke JR; Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge, CB21EW, UK., Feldmann S; Cavendish Laboratory, University of Cambridge, Cambridge, CB30HE, UK.; Rowland Institute, Harvard University, Cambridge, MA 02142, USA.
Publikováno v:
Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2023 Mar 13; Vol. 62 (12), pp. e202216729. Date of Electronic Publication: 2023 Feb 08.
Autor:
Prentice JCA; Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United Kingdom.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2022 Mar 08; Vol. 18 (3), pp. 1542-1554. Date of Electronic Publication: 2022 Feb 08.
Autor:
Prentice JCA; Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, U.K.; Department of Materials, Department of Physics, and the Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, London SW7 2AZ, U.K., Mostofi AA; Department of Materials, Department of Physics, and the Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, London SW7 2AZ, U.K.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2021 Aug 10; Vol. 17 (8), pp. 5214-5224. Date of Electronic Publication: 2021 Jul 22.
Autor:
Prentice JCA; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom., Aarons J; Department of Physics, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom., Womack JC; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom., Allen AEA; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom., Andrinopoulos L; Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom., Anton L; UKAEA, Culham Science Centre, Abingdon OX14 3DB, United Kingdom., Bell RA; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom., Bhandari A; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom., Bramley GA; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom., Charlton RJ; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom., Clements RJ; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom., Cole DJ; School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne NE1 7RU, United Kingdom., Constantinescu G; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom., Corsetti F; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom., Dubois SM; Institute of Condensed Matter and Nanosciences, Université Catholique de Louvain, Louvain-la-Neuve, Belgium., Duff KKB; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom., Escartín JM; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom., Greco A; Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom., Hill Q; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom., Lee LP; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom., Linscott E; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom., O'Regan DD; School of Physics, AMBER, and CRANN Institute, Trinity College Dublin, The University of Dublin, Dublin 2, Ireland., Phipps MJS; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom., Ratcliff LE; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom., Serrano ÁR; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom., Tait EW; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom., Teobaldi G; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom., Vitale V; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom., Yeung N; Department of Physics, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom., Zuehlsdorff TJ; Chemistry and Chemical Biology, University of California Merced, Merced, California 95343, USA., Dziedzic J; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom., Haynes PD; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom., Hine NDM; Department of Physics, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, United Kingdom., Mostofi AA; Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ, United Kingdom., Payne MC; TCM Group, Cavendish Laboratory, University of Cambridge, J. J. Thomson Avenue, Cambridge CB3 0HE, United Kingdom., Skylaris CK; School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, United Kingdom.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2020 May 07; Vol. 152 (17), pp. 174111.
Autor:
Prentice JCA; Department of Materials, Department of Physics, and the Thomas Young Centre for Theory and Simulation of Materials , Imperial College London , London SW7 2AZ , United Kingdom., Charlton RJ; Department of Materials, Department of Physics, and the Thomas Young Centre for Theory and Simulation of Materials , Imperial College London , London SW7 2AZ , United Kingdom., Mostofi AA; Department of Materials, Department of Physics, and the Thomas Young Centre for Theory and Simulation of Materials , Imperial College London , London SW7 2AZ , United Kingdom., Haynes PD; Department of Materials, Department of Physics, and the Thomas Young Centre for Theory and Simulation of Materials , Imperial College London , London SW7 2AZ , United Kingdom.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2020 Jan 14; Vol. 16 (1), pp. 354-365. Date of Electronic Publication: 2019 Dec 06.
Autor:
Sarap, Chandra Shekar1 (AUTHOR), Singh, Yashpal1 (AUTHOR), Lane, John Michael1 (AUTHOR), Rai, Neeraj1 (AUTHOR) neerajrai@che.msstate.edu
Publikováno v:
Scientific Reports. 12/7/2023, Vol. 13 Issue 1, p1-10. 10p.
Publikováno v:
NPJ Computational Materials; 7/26/2024, Vol. 10 Issue 1, p1-10, 10p
Autor:
Newman, Kahlan E.1 (AUTHOR), Khalid, Syma1,2 (AUTHOR) syma.khalid@bioch.ox.ac.uk
Publikováno v:
PLoS Computational Biology. 1/13/2023, Vol. 19 Issue 1, p1-29. 29p. 1 Color Photograph, 9 Diagrams, 4 Charts, 2 Graphs.
Autor:
Prentice, JCA, Needs, RJ
High-level vibrational calculations have been used to investigate anharmonicity in a wide variety of materials using density-functional-theory (DFT) methods. We have developed a new and efficient approach for describing strongly-anharmonic systems us
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::80602f2f3e670ed309bbd7311146af30
