MP
Michael C. Payne
physics.comp-phcond-mat.str-elphysics.chem-phquant-phcond-mat.mes-hallcond-mat.mtrl-scielectrostatic potentialGABAA receptorGABARAPionic conductance
On Valency
published · living versionsW_f7cvwy93·v1 · currentpublished
Determining pressure-temperature phase diagrams of materials
with Robert J. N. Baldock, Lívia B. Pártay, Albert P. Bartók, Gábor Csányi
1 version
Preprints & journals
21 papers in the corpus · 1989–2023Efficiently Differentiating Agonists and Competitive Antagonists for Weak Allosteric Protein-Ligand Interactions with Linear Response Theory.38046342 · Davolio, Anthony J, J Jankowski, Wojciech, Várnai, Csilla et al.2023 · 0 citationsACS omega. 2023;8(47):44537-44544
GABA receptor associated protein changes the electrostatic environment around the GABA type A receptor.34546588 · Irwin, Benedict W J, Wanjura, Clara C, Molnar, Daniel et al.2022 · 4 citationsProteins. 2022;90(2):476-484
Modeling Molecular Emitters in Organic Light-Emitting Diodes with the Quantum Mechanical Bespoke Force Field.34264669 · Yang, Lupeng, Horton, Joshua T, Payne, Michael C et al.2025 · 9 citationsJournal of chemical theory and computation. 2021;17(8):5021-5033
ONETEP + TOSCAM: Uniting Dynamical Mean Field Theory and Linear-Scaling Density Functional Theory.32433876 · Linscott, Edward B, Cole, Daniel J, Hine, Nicholas D M et al.2020 · 6 citationsJournal of chemical theory and computation. 2020;16(8):4899-4911
ONETEP + TOSCAM: uniting dynamical mean field theory and linear-scaling density functional theory1911.07752v2 · Edward B. Linscott, Daniel J. Cole, Nicholas D. M. Hine et al.2019 · 0 citationsarXiv
Development and Validation of the Quantum Mechanical Bespoke Protein Force Field.31528808 · Allen, Alice E A, Robertson, Michael J, Payne, Michael C et al.2023 · 20 citationsACS omega. 2019;4(11):14537-14550
Large-Scale Study of Hydration Environments through Hydration Sites.31025866 · Irwin, Benedict W J, Vukovic, Sinisa, Payne, Michael C et al.2020 · 9 citationsThe journal of physical chemistry. B. 2019;123(19):4220-4229
The role of spin in the calculation of Hubbard and Hund's parameters from first principles1802.09048v2 · Edward B. Linscott, Daniel J. Cole, Michael C. Payne et al.2018 · 77 citationsPhys. Rev. B 98, 235157 (2018)
Harmonic Force Constants for Molecular Mechanics Force Fields via Hessian Matrix Projection.29161029 · Allen, Alice E A, Payne, Michael C, Cole, Daniel J2018 · 112 citationsJournal of chemical theory and computation. 2018;14(1):274-281
Evidence of Correlated Static Disorder in the Fenna-Matthews-Olson Complex.28485971 · Fokas, Alexander S, Cole, Daniel J, Hine, Nicholas D M et al.2018 · 11 citationsThe journal of physical chemistry letters. 2017;8(10):2350-2356
Modeling Pair Distribution Functions of Rare-Earth Phosphate Glasses Using Principal Component Analysis.27753490 · Cole, Jacqueline M, Cheng, Xie, Payne, Michael C2018 · 11 citationsInorganic chemistry. 2016;55(21):10870-10880
Determining pressure-temperature phase diagrams of materials1503.03404v3 · Robert J. N. Baldock, L'ivia B. P'artay, Albert P. Bart'ok et al.2015 · 68 citationsPhys. Rev. B 93, 174108 (2016)on Valency
Does water dope carbon nanotubes?25362328 · Bell, Robert A, Payne, Michael C, Mostofi, Arash A2015 · 16 citationsThe Journal of chemical physics. 2014;141(16):164703
Improving the conductance of carbon nanotube networks through resonant momentum exchange1402.4948v1 · Robert A. Bell, Michael C. Payne, Arash A. Mostofi2014 · 17 citationsarXiv
Spin filtering and magneto-resistive effect at the graphene/h-BN ribbon interface.23641732 · Dubois, Simon Mutien-Marie, Declerck, Xavier, Charlier, J-C et al.2013 · 21 citationsACS nano. 2013;7(5):4578-85
New insights into the origin of visible light photocatalytic activity of nitrogen-doped and oxygen-deficient anatase TiO2.16853715 · Lin, Zheshuai, Orlov, Alexander, Lambert, Richard M et al.2007 · 435 citationsThe journal of physical chemistry. B. 2005;109(44):20948-52
Chemically active substitutional nitrogen impurity in carbon nanotubes.14525489 · Nevidomskyy, Andriy H, Csányi, Gábor, Payne, Michael C2003 · 237 citationsPhysical review letters. 2003;91(10):105502
Thermodynamics of catalytic formation of dimethyl ether from methanol in acidic zeolites.11465443 · Hytha, M, Stich, I, Gale, J D et al.2001 · 28 citationsChemistry (Weinheim an der Bergstrasse, Germany). 2001;7(12):2521-7
First principles simulations of silicon nanoindentation.10059987 · Pérez, Payne, Simpson2019 · 52 citationsPhysical review letters. 1995;75(26):4748-4751
Point-defect-induced crystal growth: An ab initio study.10007474 · Jin, Lewis, Milman et al.2019 · 4 citationsPhysical review. B, Condensed matter. 1993;48(15):11465-11468
Solution of Schrödinger's equation for large systems.9991856 · Teter, Payne, Allan2019 · 1,115 citationsPhysical review. B, Condensed matter. 1989;40(18):12255-12263
Career total: 51 works. 21 are in this corpus.
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