Description of Potential Energy Surfaces of Molecules Using FFLUX Machine Learning Models
Hughes Z.;Thacker J.;Wilson A.;Popelier P. (2019) Journal of Chemical Theory and Computation. 15, 116-126.
My research primarily focuses on the molecular simulation of interfacial (e.g. membranes, interfacial interactions) and soft matter systems (e.g. biomolecules, liquid crystals) to help improve our understanding of the physical and chemical behaviour of these systems. The bulk of my research makes use of classical molecular dynamics (MD) simulations at the atomistic level, but I have used a wide range of computational chemistry techniques in my research, including coarse-grained MD, Monte Carlo simulations, density functional theory calculations, ab initio MD.
Professional History
My research primarily focuses on the molecular simulation of interfacial (e.g. membranes, interfacial interactions) and soft matter systems (e.g. biomolecules, liquid crystals) to help improve our understanding of the physical and chemical behaviour of these systems. The bulk of my research makes use of classical molecular dynamics (MD) simulations at the atomistic level, but I have used a wide range of computational chemistry techniques in my research, including coarse-grained MD, Monte Carlo simulations, density functional theory calculations, ab initio MD.
Hughes Z.;Thacker J.;Wilson A.;Popelier P. (2019) Journal of Chemical Theory and Computation. 15, 116-126.
Hughes, Zak E.; Walsh, T.R. (2018)
Hughes, Zak E.; Walsh, T.R. (2018)
Lawrence, R.L.; Hughes, Zak E.; Cendan, V.J.; Liu, Y.; Lim, C.K.; Prasad, P.N.; Swihart, M.T.; Walsh, T.R.; Knecht, M.R. (2018)
Thacker, J.C.R.; Wilson, A.L.; Hughes, Zak E.; Burn, M.J.; Maxwell, P.I.; Popelier, P.L.A. (2018)
Nguyen, M.A.; Hughes, Zak E.; Liu, Y.; Li, Y.; Swihart, M.T.; Knecht, M.R.; Walsh, T.R. (2018)
Sultan, A.M.; Hughes, Zak E.; Walsh, T.R. (2018)
Hughes, Zak E.; Baev, A.; Prasad, P.N.; Walsh, T.R. (2017)
Hughes, Zak E.; Walsh, T.R. (2017)
Hughes, Zak E.; Kochandra, R.; Walsh, T.R. (2017)
Hughes, Zak E.; Gang, W.; Drew, K.L.M.; Ciacchi, L.C.; Walsh, T.R. (2017)
Hughes, Zak E.; Nguyen, M.A.; Li, Y.; Swihart, M.T.; Walsh, T.R.; Knecht, M.R. (2016)
Bedford, N.M.; Showalter, A.R.; Woehl, T.J.; Hughes, Zak E.; Lee, S.; Reinhart, B.; Ertem, S.P.; Coughlin, E.B.; Ren, Y.; Walsh, T.R.; Bunker, B.A. (2016)
Hughes, Zak E.; Walsh, T.R. (2016)
Bedford, N.M.; Hughes, Zak E.; Tang, Z.; Li, Y.; Briggs, B.D.; Ren, Y.; Swihart, M.T.; Petkov, V.G.; Naik, R.R.; Knecht, M.R.; Walsh, T.R. (2016)
Hughes, Zak E.; Walsh, T.R. (2016)
Palafox-Hernandez, J.P.; Lim, C-K.; Tang, Z.; Drew, K.L.M.; Hughes, Zak E.; Li, Y.; Swihart, M.T.; Prasad, P.N.; Knecht, M.R.; Walsh, T.R. (2016)
Sultan, A.M.; Westcott, Z.C.; Hughes, Zak E.; Palafox-Hernandez, J.P.; Giesa, T.; Puddu, V.; Buehler, M.J.; Perry, C.C.; Walsh, T.R. (2016)
Munro, C.J.; Hughes, Zak E.; Walsh, T.R.; Knecht, M.R. (2016)
Hughes, Zak E.; Walsh, T.R. (2015)
Hughes, Zak E.; Walsh, T.R. (2015)
Hughes, Zak E.; Walsh, T.R. (2015)
Church, A.T.; Hughes, Zak E.; Walsh, T.R. (2015)
Hughes ZE;Walsh TR; (2014) Journal of Colloid and Interface Science. 436
Palafox-Hernandez J.;Tang Z.;Hughes Z.;Li Y.;Swihart M.;Prasad P.;Walsh T.;Knecht M. (2014) Chemistry of Materials. 26, 4960-4969.
Hughes ZE;Mancera RL; (2014) Biophysical Journal. 106
Hughes ZE;Malajczuk CJ;Mancera RL; (2013) Journal of Physical Chemistry B. 117
Hughes ZE;Wright LB;Walsh TR; (2013) Langmuir. 29
Tang Z;Palafox-Hernandez JP;Law WC;Hughes ZE;Swihart MT;Prasad PN;Knecht MR;Walsh TR; (2013) ACS Nano. 7
Hughes Z.;Mancera R. (2013) Soft Matter. 9, 2920-2935.
Malajczuk C.;Hughes Z.;Mancera R. (2013) Biochimica et Biophysica Acta - Biomembranes. 1828, 2041-2055.
Hughes ZE;Mark AE;Mancera RL; (2012) Journal of Physical Chemistry B. 116
Hughes Z.;Shearer C.;Shapter J.;Gale J. (2012) Journal of Physical Chemistry C. 116, 24943-24953.
Hughes Z.;Gale J. (2012) Journal of Materials Chemistry. 22, 175-184.
Hughes Z.;Carrington L.;Raiteri P.;Gale J. (2011) Journal of Physical Chemistry C. 115, 4063-4075.
Hughes Z.;Gale J. (2010) Journal of Materials Chemistry. 20, 7788-7799.
Shakhvorostov D;Nistor RA;Krusin-Elbaum L;Martyna GJ;Newns DM;Elmegreen BG;Liu XH;Hughes ZE;Paul S;Cabral C;Raoux S;Shrekenhamer DB;Basov DN;Song Y;Müser MH; (2009) Proceedings of the National Academy of Sciences of the United States of America. 106
Hughes Z.;Stimson L.;Slim H.;Lintuvuori J.;Ilnytskyi J.;Wilson M. (2008) Computer Physics Communications. 178, 724-731.
Hughes Z.;Wilson M.;Stimson L. (2005) Soft Matter. 1, 436-443.