| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A Perspective on Multi-scale Simulation: Toward Understanding Water-silica
|
Trickey, S. B.
|
|
2006
|
|
1-3 |
p. 1-12
|
artikel
|
| 2 |
Atomic Scale Chemo-mechanics of Silica: Nano-rod Deformation and Water Reaction
|
Silva, E. C. C. M.
|
|
2006
|
|
1-3 |
p. 135-159
|
artikel
|
| 3 |
Atomic scale structure and dynamics characteristics simulation of amorphous SrTiO3 by molecular dynamics
|
Zhang, Q. Y.
|
|
2006
|
|
1-3 |
p. 213-219
|
artikel
|
| 4 |
Born–Oppenheimer Interatomic Forces from Simple, Local Kinetic Energy Density Functionals
|
Karasiev, V. V.
|
|
2006
|
|
1-3 |
p. 111-129
|
artikel
|
| 5 |
Computational Design of Silicon Suboxides: Chemical and Mechanical Forces on the Atomic Scale
|
Korkin, Anatoli
|
|
2006
|
|
1-3 |
p. 185-200
|
artikel
|
| 6 |
Computer simulation of the effect of post annealing parameters on the microstructure inhomogeneity of the non-uniformly deformed copper
|
Kazeminezhad, M.
|
|
2006
|
|
1-3 |
p. 221-232
|
artikel
|
| 7 |
Implementation of consistent embedding for a larger system–Amorphous silica
|
Muralidharan, Krishna
|
|
2006
|
|
1-3 |
p. 61-73
|
artikel
|
| 8 |
Introduction to section III – Physical systems and software for their treatment
|
Trickey, S. B.
|
|
2006
|
|
1-3 |
p. 131-133
|
artikel
|
| 9 |
Introduction to Section I – Ingredient Methods and Their Interconnections
|
Runge, K.
|
|
2006
|
|
1-3 |
p. 13-16
|
artikel
|
| 10 |
Introduction to section II – Quantum Mechanics
|
Trickey, S. B.
|
|
2006
|
|
1-3 |
p. 85-87
|
artikel
|
| 11 |
Potential parameterization from proxy systems
|
Zhu, Wuming
|
|
2006
|
|
1-3 |
p. 75-84
|
artikel
|
| 12 |
Procedure for building a consistent embedding at the QM–CM interface
|
Mallik, Aditi
|
|
2006
|
|
1-3 |
p. 45-60
|
artikel
|
| 13 |
Quantum, classical, and multi-scale simulation of silica–water interaction: molecules, clusters, and extended systems
|
Cheng, Hai-Ping
|
|
2006
|
|
1-3 |
p. 161-183
|
artikel
|
| 14 |
Quantum mechanics at the core of multi-scale simulations
|
Bartlett, Rodney J.
|
|
2006
|
|
1-3 |
p. 89-109
|
artikel
|
| 15 |
Selection of domains for coarse and fine levels of description in mixed-potential simulations
|
Deymier, P. A.
|
|
2006
|
|
1-3 |
p. 17-44
|
artikel
|
| 16 |
Software Integration in Multi-scale Simulations: the PUPIL System
|
Torras, J.
|
|
2006
|
|
1-3 |
p. 201-212
|
artikel
|
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