| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A generalized synchronous transit method for transition state location
|
Govind, Niranjan
|
|
2003
|
28 |
2 |
p. 250-258
9 p.
|
artikel
|
| 2 |
A software tool for the topological and geometrical characterization of three-dimensional frameworks
|
Sastre, German
|
|
2003
|
28 |
2 |
p. 77-84
8 p.
|
artikel
|
| 3 |
Chemical Workbench––integrated environment for materials science
|
Deminsky, M
|
|
2003
|
28 |
2 |
p. 169-178
10 p.
|
artikel
|
| 4 |
Computational chemistry for molecular electronics
|
Krstić, P.S.
|
|
2003
|
28 |
2 |
p. 321-341
21 p.
|
artikel
|
| 5 |
Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale
|
Kokalj, Anton
|
|
2003
|
28 |
2 |
p. 155-168
14 p.
|
artikel
|
| 6 |
Development and implementation of the exact exchange method for semiconductors using a localized basis set
|
Fernández, J.J.
|
|
2003
|
28 |
2 |
p. 274-286
13 p.
|
artikel
|
| 7 |
Fokker–Planck modeling of electron kinetics in plasmas and semiconductors
|
Kolobov, Vladimir I.
|
|
2003
|
28 |
2 |
p. 302-320
19 p.
|
artikel
|
| 8 |
General-purpose distributed software for Monte Carlo simulations in materials design
|
Touzik, A.
|
|
2003
|
28 |
2 |
p. 134-154
21 p.
|
artikel
|
| 9 |
Merlin a versatile optimization environment applied to the design of metallic alloys and intermetallic compounds
|
Papageorgiou, D.G.
|
|
2003
|
28 |
2 |
p. 125-133
9 p.
|
artikel
|
| 10 |
Modeling microstructure evolution in three dimensions with Grain3D and LaGriT
|
Kuprat, Andrew
|
|
2003
|
28 |
2 |
p. 199-208
10 p.
|
artikel
|
| 11 |
MOLCAS: a program package for computational chemistry
|
Karlström, Gunnar
|
|
2003
|
28 |
2 |
p. 222-239
18 p.
|
artikel
|
| 12 |
NANOTCAD2D: Two-dimensional code for the simulation of nanoelectronic devices and structures
|
Curatola, G.
|
|
2003
|
28 |
2 |
p. 342-352
11 p.
|
artikel
|
| 13 |
NWChem for materials science
|
Aprà, Edoardo
|
|
2003
|
28 |
2 |
p. 209-221
13 p.
|
artikel
|
| 14 |
Preface
|
Greer, Jim
|
|
2003
|
28 |
2 |
p. vii-
1 p.
|
artikel
|
| 15 |
SAGE MD: molecular-dynamic software package to study properties of materials with different models for interatomic interactions
|
Selezenev, Alexander A.
|
|
2003
|
28 |
2 |
p. 107-124
18 p.
|
artikel
|
| 16 |
Scalable parallel micromagnetic solvers for magnetic nanostructures
|
Scholz, Werner
|
|
2003
|
28 |
2 |
p. 366-383
18 p.
|
artikel
|
| 17 |
Simulations of the low-dimensional magnetic systems by the quantum transfer-matrix technique
|
Kamieniarz, G.
|
|
2003
|
28 |
2 |
p. 353-365
13 p.
|
artikel
|
| 18 |
Software products for modelling and simulation in materials science
|
Malinov, S
|
|
2003
|
28 |
2 |
p. 179-198
20 p.
|
artikel
|
| 19 |
Solid state calculations using WIEN2k
|
Schwarz, Karlheinz
|
|
2003
|
28 |
2 |
p. 259-273
15 p.
|
artikel
|
| 20 |
The EPMD-LMTO program for electron–positron momentum density calculations in solids
|
Barbiellini, B.
|
|
2003
|
28 |
2 |
p. 287-301
15 p.
|
artikel
|
| 21 |
Tools for analysing configuration interaction wavefunctions
|
Delaney, P.
|
|
2003
|
28 |
2 |
p. 240-249
10 p.
|
artikel
|
| 22 |
Trocadero: a multiple-algorithm multiple-model atomistic simulation program
|
Rurali, R.
|
|
2003
|
28 |
2 |
p. 85-106
22 p.
|
artikel
|
Tijdschrift beschrijving