| CP2K: An electronic structure and molecular dynamics software package-Quickstep: Efficient and accurate electronic structure calculations TD Kühne, M Iannuzzi, M Del Ben, VV Rybkin, P Seewald, F Stein, ... The Journal of Chemical Physics 152 (19), 2020 | 1735 | 2020 |
| Hydrogen Cycle on CeO2 (111) Surfaces: Density Functional Theory Calculations MB Watkins, AS Foster, AL Shluger The Journal of Physical Chemistry C 111 (42), 15337-15341, 2007 | 161 | 2007 |
| Nature of intrinsic and extrinsic electron trapping in SiO 2 AM El-Sayed, MB Watkins, VV Afanas' ev, AL Shluger Physical Review B 89 (12), 125201, 2014 | 122 | 2014 |
| Hydrogen-induced rupture of strained Si─ O bonds in amorphous silicon dioxide AM El-Sayed, MB Watkins, T Grasser, VV Afanas’ev, AL Shluger Physical review letters 114 (11), 115503, 2015 | 101 | 2015 |
| First-Principles Modeling of Polaron Formation in TiO2 Polymorphs AR Elmaslmane, MB Watkins, KP McKenna Journal of chemical theory and computation 14 (7), 3740-3751, 2018 | 90 | 2018 |
| A simple approximation for forces exerted on an AFM tip in liquid M Watkins, B Reischl The Journal of Chemical Physics 138 (15), 2013 | 90 | 2013 |
| Free energy approaches for modeling atomic force microscopy in liquids B Reischl, M Watkins, AS Foster Journal of Chemical Theory and Computation 9 (1), 600-608, 2013 | 80 | 2013 |
| Engineering polarons at a metal oxide surface CM Yim, MB Watkins, MJ Wolf, CL Pang, K Hermansson, G Thornton Physical Review Letters 117 (11), 116402, 2016 | 78 | 2016 |
| Large variation of vacancy formation energies in the surface of crystalline ice M Watkins, D Pan, EG Wang, A Michaelides, J VandeVondele, B Slater Nature materials 10 (10), 794-798, 2011 | 75 | 2011 |
| Ab initio simulations of the interaction between water and defects on the calcite (101 4) surface JS Lardge, DM Duffy, MJ Gillan, M Watkins The Journal of Physical Chemistry C 114 (6), 2664-2668, 2010 | 75 | 2010 |
| Chemical resolution at ionic crystal surfaces using dynamic atomic force microscopy with metallic tips G Teobaldi, K Lämmle, T Trevethan, M Watkins, A Schwarz, ... Physical Review Letters 106 (21), 216102, 2011 | 68 | 2011 |
| Relation between image charge and potential alignment corrections for charged defects in periodic boundary conditions TR Durrant, ST Murphy, MB Watkins, AL Shluger The Journal of chemical physics 149 (2), 2018 | 67 | 2018 |
| A relationship between three-dimensional surface hydration structures and force distribution measured by atomic force microscopy K Miyazawa, N Kobayashi, M Watkins, AL Shluger, K Amano, T Fukuma Nanoscale 8 (13), 7334-7342, 2016 | 67 | 2016 |
| Limits to doping of wide band gap semiconductors A Walsh, J Buckeridge, CRA Catlow, AJ Jackson, TW Keal, M Miskufova, ... Chemistry of Materials 25 (15), 2924-2926, 2013 | 66 | 2013 |
| Role of water in atomic resolution AFM in solutions M Watkins, ML Berkowitz, AL Shluger Physical Chemistry Chemical Physics 13 (27), 12584-12594, 2011 | 59 | 2011 |
| Identification of intrinsic electron trapping sites in bulk amorphous silica from ab initio calculations AM El-Sayed, MB Watkins, AL Shluger, VV Afanas’ev Microelectronic engineering 109, 68-71, 2013 | 55 | 2013 |
| Mechanism of contrast formation in atomic force microscopy in water M Watkins, AL Shluger Physical review letters 105 (19), 196101, 2010 | 53 | 2010 |
| Interstitials, vacancies and impurities in diamond G Davies, B Campbell, A Mainwood, M Newton, M Watkins, H Kanda, ... physica status solidi (a) 186 (2), 187-198, 2001 | 52 | 2001 |
| Dynamical simulations of an electronically induced solid-solid phase transformation in tungsten ST Murphy, SL Daraszewicz, Y Giret, M Watkins, AL Shluger, K Tanimura, ... Physical review B 92 (13), 134110, 2015 | 50 | 2015 |
| Bubbles and microporous frameworks of silicon carbide MB Watkins, SA Shevlin, AA Sokol, B Slater, CRA Catlow, SM Woodley Physical Chemistry Chemical Physics 11 (17), 3186-3200, 2009 | 49 | 2009 |
Alexander ShlugerProfessor of PhysicsVerified email at ucl.ac.uk
