Maurice de Koning
Maurice de Koning
Full Professor, Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas
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Cited by
Cited by
Minimizing boundary reflections in coupled-domain simulations
W Cai, M de Koning, VV Bulatov, S Yip
Physical Review Letters 85 (15), 3213, 2000
Modeling of dislocation–grain boundary interactions in FCC metals
M De Koning, RJ Kurtz, VV Bulatov, CH Henager, RG Hoagland, W Cai, ...
Journal of Nuclear Materials 323 (2-3), 281-289, 2003
Modelling grain-boundary resistance in intergranular dislocation slip transmission
M Koning, R Miller, VV Bulatov, FF Abraham
Philosophical Magazine A 82 (13), 2511-2527, 2002
Nonequilibrium free-energy calculation of solids using LAMMPS
R Freitas, M Asta, M De Koning
Computational Materials Science 112, 333-341, 2016
Optimized free-energy evaluation using a single reversible-scaling simulation
M de Koning, A Antonelli, S Yip
Physical review letters 83 (20), 3973, 1999
Einstein crystal as a reference system in free energy estimation using adiabatic switching
M de Koning, A Antonelli
Physical Review E 53 (1), 465, 1996
Parameter-free modelling of dislocation motion: the case of silicon
VV Bulatov, JF Justo, W Cai, S Yip, AS Argon, T Lenosky, M Koning, ...
Philosophical Magazine A 81 (5), 1257-1281, 2001
Adiabatic switching applied to realistic crystalline solids: Vacancy-formation free energy in copper
M de Koning, A Antonelli
Physical Review B 55 (2), 735, 1997
Anomalous dislocation multiplication in FCC metals
M De Koning, W Cai, VV Bulatov
Physical review letters 91 (2), 025503, 2003
Single-simulation determination of phase boundaries: A dynamic Clausius–Clapeyron integration method
M de Koning, A Antonelli, S Yip
The Journal of Chemical Physics 115 (24), 11025-11035, 2001
Vacancy interaction with dislocations in silicon: the shuffle-glide competition
JF Justo, M de Koning, W Cai, VV Bulatov
Physical Review Letters 84 (10), 2172, 2000
Advances in the study of supercooled water
P Gallo, J Bachler, LE Bove, R Böhmer, G Camisasca, LE Coronas, ...
The European Physical Journal E 44, 1-36, 2021
Optimizing the driving function for nonequilibrium free-energy calculations in the linear regime: A variational approach
M De Koning
The Journal of chemical physics 122 (10), 2005
Orientational defects in ice Ih: An interpretation of electrical conductivity measurements
M de Koning, A Antonelli, AJR da Silva, A Fazzio
Physical review letters 96 (7), 075501, 2006
Theoretical evidence for a first-order liquid-liquid phase transition in gallium
DA Carvajal Jara, M Fontana Michelon, A Antonelli, M de Koning
The Journal of chemical physics 130 (22), 2009
Efficient free-energy calculations by the simulation of nonequilibrium processes
M de Koning, W Cai, A Antonelli, S Yip
Computing in Science & Engineering 2 (3), 88-96, 2000
Nonequilibrium free-energy calculations of fluids using LAMMPS
RP Leite, M de Koning
Computational Materials Science 159, 316-326, 2019
Finite-temperature molecular-dynamics study of unstable stacking fault free energies in silicon
M De Koning, A Antonelli, MZ Bazant, E Kaxiras, JF Justo
Physical Review B 58 (19), 12555, 1998
Importance sampling of rare transition events in Markov processes
W Cai, MH Kalos, M de Koning, VV Bulatov
Physical Review E 66 (4), 046703, 2002
Structure and Energetics of Molecular Point Defects in Ice
M de Koning, A Antonelli, AJR da Silva, A Fazzio
Physical review letters 97 (15), 155501, 2006
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