684 zoekresultaten voor “density functional theory” in de Publieke website
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Development of highly accurate density functionals for H2 dissociation on transition metals
Metals surfaces form a group of effective catalysts for the reaction of small molecules such as hydrogen (H2).
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Nuclear Quantum Effects in Solid Water
Ice, the solid state of water, plays an important role on our planet as well as the entire universe.Despite the fact that an individual water molecule has a very simple structure, its chemical bonding in the solid phase can be surprisingly complex.
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Interstellar Catalysts and the PAH universe
Organic molecules in interstellar space are important as they influence the structure of galaxies and star formations. Studying catalytic processes in space allows us to understand how molecular species are formed and chemically evolved in the interstellar medium and solar system objects.
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Computational electrocatalysis
This dissertation focused on computational methods based on first principles calculations using the Density Functional Theory (DFT) framework. Emphasis was laid on affordable methods that can provide a tradeoff between computational expense and accuracy.
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Francesco Buda
Wiskunde en Natuurwetenschappen
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Observing what cannot be observed: computational electrochemistry from carbon to hydrogen
In this thesis, we consider various (electro)chemical phenomena at surfaces and nanoparticles and their underlying atomistic processes, which we studied using first-principles methods such as density functional theory.
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Accurate modeling of the dynamics of dissociative chemisorption on metal surfaces
Fundamental understanding of molecular reactions on metal surfaces is important for improving heterogeneous catalysis.
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Hydrogen dissociation on metal surfaces
Dissociative chemisorption is an important reaction step in many catalytic reactions.
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Hydrogen dissociation on metal surfaces
Promotor: G. J. Kroes
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Strings and AdS/CFT at finite density
Promotores: J. Zaanen, A. Parnachev
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Satellite remote sensing of plant functional diversity
Biodiversity enables ecosystems to thrive through the synergy of functional differences among organisms. While human well-being strongly depends on biodiversity-driven ecosystem services, human actions are also at the root of current unprecedented biodiversity declines.
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Ab initio molecular dynamics calculations on reactions of molecules with metal surfaces
Promotor: Prof.dr. G.J. Kroes
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On the random-matrix theory of Majorana fermions in topological superconductors
The thesis mainly contributes to the characterization of Majorana fermions as they appear in the Condensed Matter context.
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Probability theory
Het onderzoeksprogramma Probability Theory richt zich op kansrekening en op operationeel onderzoek.
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Deciphering fermionic matter: from holography to field theory
Promotor: K.E. Schalm, Co-promotor: S.S. Lee
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Cathodic corrosion
Cathodic corrosion is a relatively unknown phenomenon that can severely etch metallic electrodes at cathodic (negative) potentials.
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Water related adsorbates on stepped platinum surfaces
Promotor: M.T.M. Koper, Co-Promotor: L.B.F. Juurlink
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Mersenne primes and class field theory
Promotor: H.W. Lenstra, Jr., Co-promotor: B. de Smit
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Kummer theory for commutative algebraic groups
This dissertation is a collection of four research articles devoted to the study of Kummer theory for commutative algebraic groups.
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Modular curves, Arakelov theory, algorithmic applications
Promotor: S.J. Edixhoven, Co-promotor: R.S. de Jong
- Aflevering 44: Theory of Mind
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Algebra, Geometry and Number Theory
Het onderzoek binnen het Algebra, Geometry and Number Theory programma varieert van fundamentele wiskundige theorie tot algoritmes en toepassingen.
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Rationally designed peptide based functional biomaterials
Promotor: Prof.dr. J.G.E.M. Fraaije, Co-promotor: A. Kros
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Functional fluorescent materials and migration dynamics of neural progenitor cells
In this thesis, time-lapse fluorescent microscopy plays a pivotal role in investigating functional materials within living cells as well as the migratory behaviour of neural progenitor cells.
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Invariant manifolds and applications for functional differential equations of mixed type
Promotor: S.M. Verduyn Lunel
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Semi-empirical approach to the simulation of molecule-surface reaction dynamics
Catalysis is of extreme relevance in the production of everyday materials and plays a central role in many aspects of our life.
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Algebra, Geometry and Number Theory (MSc)
In de masterspecialisatie Algebra, Geometry and Number Theory verbreed je je kennis van de zuivere wiskunde met onderwerpen als getaltheorie, algebraïsche meetkunde, algebraïsche topologie en cryptologie.
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Cultural Analysis: Literature and Theory (MA)
De masteropleiding Cultural Analysis: Literature and Theory van de Universiteit Leiden richt zich op de studie van literatuur vanuit een vergelijkend en theoretisch perspectief, en onderzoekt de literatuur van een breed spectrum van talen en culturen uit de hele wereld.
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On cluster algebras and topological string theory
My PhD research is devoted to studies of the conjectural cluster-algebraic symmetry in the theory of topological string, which is the simplest, however already non-trivial sector in the theory of string.
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Understanding functional dynamics and conformational stability of beta-glycosidases
Due to their central physiological roles in living organisms, retaining beta-glycosidases have been the subject of tremendous research efforts to examine their structure/function relation using numerous biophysical and biochemical approaches.
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Political Theory: Legitimacy and Justice (MSc)
In deze masterspecialisatie houd je je bezig met twee kernthema’s in de politieke filosofie: legitimiteit en rechtvaardigheid. Je verdiept je in theoriën, methoden en complexe casus en maakt de stap van opinie naar analyse.
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Functional analysis of agrobacterium tumefaciens virulence protein VirD5
Supervisor: P.J.J. Hooykaas
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Remote sensing-based assessment of functional diversity for polar ecosystems
1: What is the relative importance of alfa and beta biodiversity in polar ecosystems, and how does intraspecific variation influence this? 2: How can we use remote sensing to determine functional biodiversity (within communities) in polar ecosystems? 3: Temporal and spatial scales of functional biodiversity:…
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Many Babies 2: "Theory of mind"
In deze studie onderzoeken we of 2-3-jarigen in staat zijn te anticiperen op het gedrag van een personage door rekening te houden met wat dit personage wel of niet weet over de situatie. Het kind zit op schoot en krijgt animaties te zien met twee personages, waarbij de ene zich verstopt en de andere…
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Functional analysis of genetic variants in PALB2 and CHEK2
Promotie
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Functional xylem anatomy: intra and interspecific variation in stems of herbaceous and woody species
My PhD thesis investigates the ecological significance of resistance against drought-induced air bubble formation inside the water conduits of plants (embolism), and the plasticity and functional aspects of stem anatomical traits in woody and herbaceous species.
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Gauge theory and nematic order : the rich landscape of orientational phase transition
Promotor: J. Zaanen
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Advances in computational methods for Quantum Field Theory calculations
In this work we describe three methods to improve the performance of Quantum Field Theory calculations.
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The Importance of Conspiracy Theory in Extremist Ideology and Propaganda
Op 16 april 2020 verdedigde Andrew Fink zijn proefschrift 'The Importance of Conspiracy Theory in Extremist Ideology and Propaganda'. Het promotieonderzoek is begeleid door promotor prof.dr. A. Ellian.
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Towards improved drug action : target binding kinetics and functional efficacy at the mGlu2 receptor
During the course of drug discovery translational steps are made.
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Statistical physics and information theory for systems with local constraints
Systems with local constraints is a new finding in recent researches on complex systems. The heterogeneous spatial interactions and the temporal dependencies among those numerous units make it difficult to describe by traditional statistical physics.
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Novel approaches for direct exoplanet imaging: theory, simulations and experiments
The next generation of high-contrast imaging instruments on space-based observatories requires sophisticated wavefront sensing and control in addition to a high-performance coronagraph.
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Diaspora drumming: theory and practice | English spoken
Kunst en vrije tijd, Kunst en vrije tijd
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Functional analysis of Dof transcription factors controlling heading date and PPDK gene expression in rice
Promotor: P.J.J. Hooykaas, Co-Promotores: P.B.F. Ouwerkerk, M. Wang
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Applied String Theory: Explaining Quantum Matter with Black Holes
Hoe kunnen we de mysteries van quantummaterie verklaren?
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University Lecturer (UD) in Cultural Studies and Critical Theory
Geesteswetenschappen, Centre for the Arts in Society
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Femke Bakker, Hawks and Doves: Democratic Peace Theory Revisited
Femke Bakker, Hawks and Doves: Democratic Peace Theory Revisited
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Non-linear astrochemical kinetics: theory and applications
This Thesis shows discoveries in non-linear astrochemical kinetics as well as a deeper analysis of dark clouds chemistry.
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Fungi of the greening Arctic: compositional and functional shifts in response to climatic changes
Promotor: E.F. Smets Co-promotor: J. Geml
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Structural and functional analysis of proteins involved in natural product biosynthesis and morphological differentiation in Streptomyces
Streptomyces present a valuable platform for natural product discovery. Lugdunomycin is a novel angucycline-derived polyketide from Streptomyces sp QL37, with unprecedented skeleton and antimicrobial activity.