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Analysis of computational models for an accurate study of electronic excitations in GFP

Related publications (38)

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Computational Quantum Chemical Studies on Radicals

Peter Rudolf Tentscher

Radicals play an important role in many areas of chemistry, such as atmospheric, aquatic, polymer, and biological, to name a few. Radicals are often highly reactive species which are short-lived and therefore harder to study by experimental techniques. In ...

EPFL2013

Implementation of a Distributed Computation Framework

Matej Pavlovic

This project aims at building a dynamic and scalable framework for Byzantine fault tolerant distributed computation. By organizing nodes of a distributed system in fault-tolerant clusters, we mask Byzantine failures of single nodes and provide an abstracti ...

2013

Clustering via diffusion adaptation over networks

Ali H. Sayed

Distributed processing over networks relies on in-network processing and cooperation among neighboring agents. Cooperation is beneficial when all agents share the same objective or belong to the same group. However, if agents belong to different clusters o ...

IEEE2012

A tetrameric neptunyl(v) cluster supported by a Schiff base ligand

Marinella Mazzanti

The first tetrameric cation-cation neptunyl(v) cluster, [NpO 2(salen) 4(μ 8-K) 2][K(18C6)Py] 2, has been synthesized in non-aqueous solution from the reaction of [(NpO 2Py 5)(KI 2Py 2)] n with K 2salen and its structure determined in the solid state and in ...

2012

"Gold standard" coupled-cluster study of acetylene pentamers and hexamers via molecular tailoring approach

Brijesh Kumar Mishra

Due to high scaling order of MP2 and CCSD(T) methods, it is either difficult or at times even impossible to treat even moderately sized molecular systems with elaborate basis sets such as aug-cc-pVXZ (X = D, T, Q). In the present work, several structures o ...

2011

Photophysics and Photochemistry from First Principles

Matteo Guglielmi

Quantum chemical methods are important tools for the predictions of electronic structure and energetics of molecules providing the interpretation of spectroscopic experiments and reaction mechanisms. In this thesis, density functional theory (DFT) and wave ...

EPFL2010

A Clustering Method Based on Soft Learning of Model (Prototype) and Dissimilarity Metrics

Arash Arami

Many clustering methods are designed for especial cluster types or have good performance dealing with particular size and shape of clusters. The main problem in this connection is how to define a similarity (or dissimilarity) criterion to make an algorithm ...

Springer-Verlag2009

Multi-scale characterization of particle clustering in discontinuously reinforced composites

Arda Cetin

The applicability of a quantitative characterization scheme for cluster detection in particle reinforced composites is discussed. The method considers the pattern from the perspective of individual particles, so that even in a pattern that globally conform ...

2009

Learning Cluster Type and Dissimilarity Metric for Each Cluster Using a Set of Possible Cluster Types

Arash Arami

One of the shortcomings of the existing clustering methods is their problems dealing with different shape and size clusters. On the other hand, most of these methods are designed for especial cluster types or have good performance dealing with particular s ...

2007

Implantation and electron emission in cluster-surface collisions

Microscopic processes induced by the controlled deposition of mass selected silver clusters on graphite (HOPG) and Pt(111) are investigated. The implantation of silver clusters into the HOPG surface is analyzed. The first step consists in a systematic stud ...

EPFL2004