Vol. 7 (2006): Issue 4.

New computational technologies

Published: 2006-10-06

Section 1. Numerical methods and applications

294-299
Inverse problems of formation for the molecular-weight distribution in polymerization processes

T.S.,. Usmanov, A.S. Usmanov, A.G. Yagola, S.M. Usmanov
300-309
Entropic sampling of the flexible polyelectrolyte with the Wang-Landau algorithm

N.A. Volkov, P.N. Vorontsov-Velyaminov, A.P. Lyubartsev
310-322
Entropic sampling of freely-rotating polymer chains

A.A. Yurchenko, P.N. Vorontsov-Velyaminov
323-336
The Lagrange principle and finite-dimensional approximations in the optimal inverse problem for linear operators

A.V. Bayev

Section 2. Programming

102-110
Automated debugging of parallel programs

V.A. Krukov, M.V. Kudryavtsev
111-116
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
117-127
TreeDL: a language for description of graph structures and operations on them

A.V. Demakov
128-136
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
137-150
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