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Maurice de Koning
Maurice de Koning
Full Professor, Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas
Verified email at unicamp.br
Title
Cited by
Cited by
Year
Minimizing boundary reflections in coupled-domain simulations
W Cai, M de Koning, VV Bulatov, S Yip
Physical Review Letters 85 (15), 3213, 2000
2932000
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
1742003
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
1622002
Nonequilibrium free-energy calculation of solids using LAMMPS
R Freitas, M Asta, M De Koning
Computational Materials Science 112, 333-341, 2016
1572016
Optimized free-energy evaluation using a single reversible-scaling simulation
M de Koning, A Antonelli, S Yip
Physical review letters 83 (20), 3973, 1999
1391999
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
881996
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
872001
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
751997
Anomalous dislocation multiplication in FCC metals
M De Koning, W Cai, VV Bulatov
Physical review letters 91 (2), 025503, 2003
722003
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
672001
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
642000
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
522021
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
512005
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
492006
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
382009
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
362000
Nonequilibrium free-energy calculations of fluids using LAMMPS
RP Leite, M de Koning
Computational Materials Science 159, 316-326, 2019
342019
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
321998
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
292002
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
282006
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