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Reconstruction of complex structures is an inverse problem arising in virtually all areas of science and technology, from protein structure determination to bulk heterostructure solar cells and the structure of nanoparticles. We cast this problem as a complex network problem where the edges in a network have weights equal to the Euclidean distance between(More)
Computational techniques for nanostructure determination of substances that resist standard crystallographic methods are often laborious processes starting from initial guess solutions not derived from experimental data. The Liga algorithm can create nanostructures using only lists of lengths or distances between atom pairs, providing an experimental basis(More)
An extension of the Liga algorithm for structure solution from atomic pair distribution functions (PDFs), to handle periodic crystal structures with multiple elements in the unit cell, is described. The procedure is performed in three separate steps. First, pair distances are extracted from the experimental PDF. In the second step the Liga algorithm is used(More)
Studies of distance geometry problems (DGP) have focused on cases where the vertices at the ends of all ormost of the given distances are known or assigned, whichwe call assigned distance geometry problems (aDGPs). In this contribution we consider the unassigned distance geometry problem (uDGP) where the vertices associatedwith a given distance are unknown,(More)
  • Lahtela, L. Granlund, Insinööritoimisto Olof Granlund
  • 1997
A new integrated simulation system for the building services design and facilities management purposes is being developed by Insinööritoimisto Olof Granlund Oy. The system covers the thermal simulation needs of the whole building life cycle from the preliminary design to renovations. The main components of the simulation system are a simulation database,(More)
The study presents an algorithm, ParSCAPE, for model-independent extraction of peak positions and intensities from atomic pair distribution functions (PDFs). It provides a statistically motivated method for determining parsimony of extracted peak models using the information-theoretic Akaike information criterion (AIC) applied to plausible models generated(More)
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