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 |