Dr Joseph Prentice

Selected Publications

J.C.A. Prentice, J. Aarons, J.C. Womack, et al., The ONETEP linear-scaling density functional theory program, J. Chem. Phys. 152, 174111 (2020) https://doi.org/10.1063/5.0004445

J.C.A. Prentice, R.J. Charlton, A.A. Mostofi and P.D. Haynes, Combining embedded mean-field theory with linear-scaling density-functional theory, J. Chem. Theory Comput. 16, 354 (2020) https://doi.org/10.1021/acs.jctc.9b00956

J.C.A. Prentice, R. Maezono and R.J. Needs, First-principles anharmonic vibrational study of the structure of calcium silicate perovskite under lower mantle conditions, Physical Review B 99, 064101 (2019) https://doi.org/10.1103/PhysRevB.99.064101

J.C.A. Prentice, B. Monserrat and R.J. Needs, First-principles study of the dynamic Jahn-Teller distortion of the neutral vacancy in diamond, Physical Review B 95, 014108 (2017) https://doi.org/10.1103/PhysRevB.95.014108

J.C.A. Prentice and R.J. Needs, Using forces to accelerate first-principles anharmonic vibrational calculations, Phys. Rev. Materials 1, 023801 (2017) https://doi.org/10.1103/PhysRevMaterials.1.023801

J.C.A. Prentice and A.I. Coldea, Modeling the angle-dependent magnetoresistance oscillations of Fermi surfaces with hexagonal symmetry, Physical Review B 93, 245105 (2016) https://doi.org/10.1103/PhysRevB.93.245105