Generalizing the environment-dependent interaction potential for carbon NA Marks
Physical Review B 63 (3), 035401, 2000
377 2000 Graphitization of amorphous carbons: A comparative study of interatomic potentials C de Tomas, I Suarez-Martinez, NA Marks
Carbon 109, 681-693, 2016
234 2016 Dehydroxylation of kaolinite to metakaolin—a molecular dynamics study S Sperinck, P Raiteri, N Marks, K Wright
Journal of Materials Chemistry 21 (7), 2118-2125, 2011
234 2011 Evidence for subpicosecond thermal spikes in the formation of tetrahedral amorphous carbon NA Marks
Physical Review B 56 (5), 2441, 1997
212 1997 Microscopic structure of tetrahedral amorphous carbon NA Marks, DR McKenzie, BA Pailthorpe, M Bernasconi, M Parrinello
Physical review letters 76 (5), 768, 1996
208 1996 Ab initio simulations of tetrahedral amorphous carbon NA Marks, DR McKenzie, BA Pailthorpe, M Bernasconi, M Parrinello
Physical Review B 54 (14), 9703, 1996
190 1996 Comparison of density-functional, tight-binding, and empirical methods for the simulation of amorphous carbon NA Marks, NC Cooper, DR McKenzie, DG McCulloch, P Bath, SP Russo
Physical Review B 65 (7), 075411, 2002
184 2002 Universal Scherrer equation for graphene fragments DJ Lim, NA Marks, MR Rowles
Carbon 162, 475-480, 2020
172 2020 Hybrid approach for generating realistic amorphous carbon structure using metropolis and reverse Monte Carlo G Opletal, T Petersen, B O'Malley, I Snook, DG McCulloch, NA Marks, ...
Molecular Simulation 28 (10-11), 927-938, 2002
166 2002 Modelling diamond-like carbon with the environment-dependent interaction potential N Marks
Journal of Physics: Condensed Matter 14 (11), 2901, 2002
141 2002 Hydrogen-free amorphous carbon preparation and properties DR McKenzie, Y Yin, NA Marks, CA Davis, BA Pailthorpe, ...
Diamond and Related Materials 3 (4-6), 353-360, 1994
117 1994 Molecular-dynamics study of compressive stress generation NA Marks, DR McKenzie, BA Pailthorpe
Physical Review B 53 (7), 4117, 1996
105 1996 Abrupt Stress Induced Transformation in Amorphous Carbon Films<? format?> with a Highly Conductive Transition Phase DWM Lau, DG McCulloch, MB Taylor, JG Partridge, DR McKenzie, ...
Physical review letters 100 (17), 176101, 2008
102 2008 Self-assembly of RC Powles, NA Marks, DWM Lau
Physical Review B—Condensed Matter and Materials Physics 79 (7), 075430, 2009
99 2009 Defects and threshold displacement energies in SrTiO3 perovskite using atomistic computer simulations BS Thomas, NA Marks, BD Begg
Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2007
98 2007 Electronic structure models of phosphorus DJ Carter, O Warschkow, NA Marks, DR McKenzie
Physical Review B—Condensed Matter and Materials Physics 79 (3), 033204, 2009
97 * 2009 Transferability in interatomic potentials for carbon C de Tomas, A Aghajamali, JL Jones, DJ Lim, MJ López, ...
Carbon 155, 624-634, 2019
95 2019 Mechanism for the amorphisation of diamond BA Fairchild, S Rubanov, DWM Lau, M Robinson, I Suarez‐Martinez, ...
Advanced Materials 24 (15), 2024, 2012
91 2012 Structural prediction of graphitization and porosity in carbide-derived carbons C de Tomas, I Suarez-Martinez, F Vallejos-Burgos, MJ Lopez, K Kaneko, ...
Carbon 119, 1-9, 2017
89 2017 Thermal dissociation and desorption of HF Wilson, O Warschkow, NA Marks, NJ Curson, SR Schofield, ...
Physical Review B—Condensed Matter and Materials Physics 74 (19), 195310, 2006
85 2006 