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"An industrial-scale MDEA-based CO2 absorption process is considered in this work. Natural gas plant of Aguaragüe Argentina is selected to perform the studies of optimization and dynamics. With the steadystate of the pr...

In this article we analyze two kinds of metaheuristic algorithms applied to wind farm optimization. The basic idea is to utilize CHC (a sort of GA) and GPSO (a sort of PSO) algorithms to obtain an acceptable configurati...

"This master thesis presents an operational strategy for a microgrid-connected wayside energy storage device within a light rail application. This strategy is based on a mixedinteger linear program optimization formulate...

Unlike other methods for docking ligands to the rigid 3D structure of a known protein receptor, Glide approximates a complete systematic search of the conformational, orientational, and positional space of the docked lig...

In this paper, an improvement of deformable template matching algorithm for polygonal objects in grayscale images using two-dimensional deformable templates along orthogonal curves is presented. In the process of pre-com...

Starting from the screening in conductors, an algorithm for the accurate calculation of dielectric screening effects in solvents is presented, which leads to rather simple explicit expressions for the screening energy an...

Due to the progressing climate change, climate-neutral resources are becoming increasingly important. The forest industry is aware of this problem and hence, is looking for new technologies to make the production of its ...

New protein parameters are reported for the all-atom empirical energy function in the CHARMM program. The parameter evaluation was based on a self-consistent approach designed to achieve a balance between the internal (b...

The European demonstration fusion power plant (EU-DEMO) project intends to prove the commercial viability of nuclear fusion as a source of safe and clean energy. This fusion power plant will be fueled by a 1:1 deuterium-...

This paper presents a basic and an extended heuristic to distribute operating system (OS) services over mobile ad hoc networks. The heuristics are inspired by the foraging behavior of ants and are used within our NanoOS...

Tesis Energía y Ambiente (maestría) - Instituto Tecnológico de Buenos Aires, Buenos Aires - Karlsruher Institut für Technologie, Karlsruhe, 2024 "In the global effort to reduce greenhouse gas emissions and enhance en...

This thesis observes the emerging trend of convergence of control with computing and communication. By exploiting control and scheduling codesign, we study some practical and open problems in RTCSs from a unique viewpoin...

Tesis Energía y Ambiente (maestría) - Instituto Tecnológico de Buenos Aires, Buenos Aires - Karlsruher Institut für Technologie, Karlsruhe, 2021 The climate change and the constantly rising demand of energy worldwide...

A new algorithm is presented for obtaining points on a steepest descent path from the transition state of the reactants and products. In mass-weighted coordinates, this path corresponds to the intrinsic reaction coordina...

This article describes the software suite GROMACS (Groningen MAchine for Chemical Simulation) that was developed at the University of Groningen, The Netherlands, in the early 1990s. The software, written in ANSI C, origi...

Correlation consistent and augmented correlation consistent basis sets have been determined for the second row atoms aluminum through argon. The methodology, originally developed for the first row atoms [T. H. Dunning, J...

Geant4 is a software toolkit for the simulation of the passage of particles through matter. It is used by a large number of experiments and projects in a variety of application domains, including high energy physics, ast...

Radiation resistant camera system was constructed for monitoring deuterium plasma discharges in the Large Helical Device (LHD). This system has contributed to safe operation during two experimental campaigns without seri...

An extended basis set of atomic functions expressed as fixed linear combinations of Gaussian functions is presented for hydrogen and the first-row atoms carbon to fluorine. In this set, described as 4–31 G, each inner ...

"This thesis aims to develop a model for an industrial evaporative cooling system having a chiller and a production heat source using two cooling towers, to evaluate the energy consumption of the system and find an optim...

Two approximate methods for solving the band-structure problem in an efficient and physically transparent way are presented and discussed in detail. The variational principle for the one-electron Hamiltonian is used in b...

A novel and robust automated docking method that predicts the bound conformations of flexible ligands to macromolecular targets has been developed and tested, in combination with a new scoring function that estimates the...

Didanosine (ddI) is an important drug in the AIDS therapy. However, to overcome the instability of ddI in acid medium, the tablets have a large amount of buffer that can lead to side effects such as diarrhea and kidney p...

"The high emissions of greenhouse gases and the impact generated on the environment by human behavior during the last few years has led many governments to decide to promote the use of electric cars for passenger transpo...