We present an overview of the onetep program for linear-scaling density functional theory (DFT) calculations with large basis set (plane-wave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spa ...
Capabilities are widely used in the design of software systems to ensure security. A system of capabilities can become a mess in the presence of objects and functions: objects may leak capabilities and functions may capture capabilities. They make reasonin ...
The objective of this thesis is to develop a general methodology to incorporate a disaggregate demand representation in supply-oriented optimization problems that allows to capture the interplay between the behavior of individuals and the decisions to be o ...
Landslide-generated waves, also called impulse waves, occur as a result of the intrusion of landslides (such as rock falls, debris flows, and avalanches) into bodies of water (such as lakes, reservoirs, and seas). The objective of this thesis was to study ...
A new strategy based on numerical homogenization and Bayesian techniques for solving multiscale inverse problems is introduced. We consider a class of elliptic problems which vary at a microscopic scale, and we aim at recovering the highly oscillatory tens ...
Spectral techniques for Boolean and multiple-valued functions have been well studied and found to be useful in logic design and testing for conventional circuits. Spectral techniques also have potential application for reversible and quantum circuits. This ...
