Vol. 7 (2006): Issue 4.

New computational technologies

Published: 2006-10-06

Section 1. Numerical methods and applications

Inverse problems of formation for the molecular-weight distribution in polymerization processes

T.S.,. Usmanov, A.S. Usmanov, A.G. Yagola, S.M. Usmanov

294-299
- PDF (Русский)
Entropic sampling of the flexible polyelectrolyte with the Wang-Landau algorithm

N.A. Volkov, P.N. Vorontsov-Velyaminov, A.P. Lyubartsev

300-309
- PDF (Русский)
Entropic sampling of freely-rotating polymer chains

A.A. Yurchenko, P.N. Vorontsov-Velyaminov

310-322
- PDF (Русский)
The Lagrange principle and finite-dimensional approximations in the optimal inverse problem for linear operators

A.V. Bayev

323-336
- PDF (Русский)

Section 2. Programming

Automated debugging of parallel programs

V.A. Krukov, M.V. Kudryavtsev

102-110
- PDF (Русский)
Data structuring and formalization in the hybrid database on molecular spectral constants (ISMOL)

I.V. Kochikov, G.M. Kuramshina, L.M. Samkov, L.A. Sharapov, S.A. Sharapova

111-116
- PDF (Русский)
TreeDL: a language for description of graph structures and operations on them

A.V. Demakov

117-127
- PDF (Русский)
An algorithm of assigning the force parameters to atoms of organic molecules and proteins in the framework of the MMFF94 force field

F.V. Grigoriev, A.N. Romanov, O.A. Kondakova, V.B. Sulimov, S.V. Luschekina

128-136
- PDF (Русский)
A program environment for mesh generation, refinement, and partition and for construction of computational models for parallel distributed computing

S.P. Kopyssov, A.K. Novikov, A.B. Ponomaryov, V.N. Rychkov

137-150
- PDF (Русский)