288 zoekresultaten voor “computational modelleren” in de Publieke website
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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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Minimale structuur modellering
Bestaand werk op het gebied van probabilistische taalmodellering kan in twee categorieën worden onderverdeeld:
- Centre for Computational Life Sciences
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Computational modeling of angiogenesis : from matrix invasion to lumen formation
Promotor: Roeland M.H. Merks
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Assistant Professor in Computational Biodiversity
Wiskunde en Natuurwetenschappen, Leiden Institute of Advanced Computer Science (LIACS)
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Bioinformatics Data analytics Computational Biology
LUMC Technology Focus Area (TFA) Data Analytics is een samenwerkingsverband van verschillende onderzoeksgroepen in het LUMC die nieuwe kwantitatieve en computationele methodologie ontwikkelen voor biomedisch en klinisch onderzoek.
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Computational modeling of cellular dynamics in tumor cell migration
Epithelial-mesenchymal plasticity (EMP) and tumor cell migration play an important role in cancer progression, and an improved understanding of the mechanisms underlying these concepts is essential for developing new targeted approaches.
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Integrating cellular and tissue dynamics with cell fate decisions through computational modeling
There is a need for alternative methods to replace, reduce and refine (3R) animal experimentation. Combining experimental data from high-throughput in vitro studies with in silico modeling is a promising approach to unravel the effect of chemicals on living cells and to gain a better understanding of…
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Computational Approaches to Disease, Signaling and Drug Targets
The Minor Computational Approaches to Disease, Signaling and Drug Targets (CADSDT) is focused on fundamental scientific research required for discovery of new drug targets and development of new drugs.
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membranes and materials for solar-to-fuel devices: a multiscale computational approach
In the current global context, there is a pressing need to address sustainable energy supplies to safeguard our Planet and its ecosystems. The choices made by human society have a significant impact on genetic evolution and climate.
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Computational speedups and learning separations in quantum machine learning
This thesis investigates the contribution of quantum computers to machine learning, a field called Quantum Machine Learning. Quantum Machine Learning promises innovative perspectives and methods for solving complex problems in machine learning, leveraging the unique capabilities of quantum computers…
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Computational modeling of mycobacterium infection and innate immune reponse in zebrafish
Promotor: Prof.dr. J.N. Kok
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Computational optimisation of optical projection tomography for 3D image analysis
Optical projection tomography (OPT) is a tomographic 3D imaging technique used for specimens in the millimetre scale.
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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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A computational study of structural and excitonic properties of chlorosomes
The long-held desire - to link structure directly to function and to explain molecular mechanisms based on basic chemical or physical principles - is finally coming closer, satisfying not only our scientific curiosity but also offering new solutions to the many challenges in the field of health, energy…
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Computational aspects of class group actions and applications to post-quantum cryptography
Most of current public-key cryptography is considered insecure against attacks from sufficiently powerful quantum computers. Post-quantum cryptography studies methods to secure information resistant against such attacks. One proposal is isogeny-based cryptography, which bases its security on computational…
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The use of computational toxicology in hazard assessment of engineered nanomaterials
Assessing the risks of engineered nanomaterials (ENMs) solely on the basis of experimental assays is time-consuming, resource intensive, and constrained by ethical considerations (such as the principles of the 3Rs of animal testing). The adoption of computational toxicology in this field is a high p…
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PLG Modelleren in de Biologie
Bent u zoekende hoe u modelleren een rol kan geven binnen uw biologieonderwijs? Vind u modelleren leuk, wilt u uw kennis delen en halen hoe u modellen kunt koppelen aan voor leerlingen aansprekende contexten? De steunpunten bieden een PLG Modelleren in de Biologie aan, waar nog vijf plaatsen voor beschikbaar…
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pharmacokinetics-pharmacodynamics in zebrafish: integration of experimental and computational methods
The zebrafish is a promising vertebrate model organism in early drug discovery and development.
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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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Computational, biochemical, and NMR-driven structural studies on histone variant H2A.B
Nature uses a special class of histone proteins, histone variants, to modulate the properties of chromatin at defined genomic locations.
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Multimodality Imaging in Coronary Artery Disease: Plaque Characterization, Computational Haemodynamic Simulation and Risk Stratification
Promotie
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the preference hypervolume: an interactive model for real world computational co-creativity
In this thesis it is posed that the central object of preference discovery is a co-creative process in which the Other can be represented by a machine. It explores efficient methods to enhance introverted intuition using extraverted intuition's communication lines.
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Synthetic, Physical and Computational Chemistry of Propeller-shaped Polycyclic Aromatic Hydrocarbons
This thesis systematically studies the physicochemical properties of non-planar, propeller-shaped, polycyclic aromatic hydrocarbons. The synthesis of several so-called propellerenes is described on a gram scale, using optimized procedures aimed at using less hazardous reagents and reducing the amount…
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regular and deuterated water in space: a combined laboratory and computational study
Promotor: Prof.dr. H.V.J. Linnartz
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Chemical Similarity: Structuring Risk and Hazard Assessment
At the moment, over 350.000 chemicals are registered worldwide for production and use. Their application, however, may harm human health and the environment.
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Visual analytics for spatially-resolved omics data at single cell resolution: Methods and Applications
The deeper understanding of an organism's pathology is important for developing treatments. Over centuries of systematic research, clinical researchers have demonstrated that the more information they acquire about the cellular properties and their organisation in the tissue, the better they can understand…
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Topology and Geometry in Chiral Liquids
We study the interplay of topology and geometry with chirality for several passive and active systems, employing both analytical and numerical methods.
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Computability of the étale Euler-Poincaré characteristic
Promotor: S.J. Edixhoven, L.D.J. Taelman
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Evolutionary molecular dynamics
This thesis introduces the concept of
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Mechanistic modelling of drug target binding kinetics as determinant of the time course of drug action in vivo
Drug-target binding kinetics determine the time course of the central event in pharmacotherapy: Drug-target interaction.
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Photoinduced processes in dye-sensitized photoanodes under the spotlight: a multiscale in silico investigation
With increasing carbon dioxide levels in the atmosphere and their detrimental effect on the global climate, modern society needs to push for more renewable energy sources. Storing widely accessible and abundant solar energy in chemical bonds in the form of molecular fuel via artificial photosynthesis…
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Fan Zhang
Wiskunde en Natuurwetenschappen
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Fenying Zang
Faculteit der Sociale Wetenschappen
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Unravelling cell fate decisions through single cell methods and mathematical models
Despite being the object of intense study, embryonic development has been difficult to model due to a number of reasons. First, complex tissues can be comprised of many cell types, of which we probably only know a subset.
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The flux and flow of data: connecting large datasets with machine learning in a drug discovery envirionment
This thesis focuses on data found in the field of computational drug discovery. New insight can be obtained by applying machine learning in various ways and in a variety of domains. Two studies delved into the application of proteochemometrics (PCM), a machine learning technique that can be used to…
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Proteins in harmony: Tuning selectivity in early drug discovery
This thesis describes the importance of being able to control the selectivity of potential drug candidates.
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The power of one qubit in quantum simulation algorithms
Quantum computing is an emerging technology, which holds the potential to simulate complex quantum systems beyond the reach of classical numerical methods.Despite recent formidable advancements in quantum hardware, constructing a quantum computer capable of performing useful calculations remains challenging.In…
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The developing infant gut microbiota: mathematical predictions of the effects of oligosaccharides
A complex community of microbes develops in the infant gut shortly after birth. We call this community the infant gut microbiota. The microbiota influences the health of the infant, which makes the composition and function of the infant gut microbiota an important topic to study.
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Leidse sterrenkundigen schrijven IEEE Software Impact column
De eer was aan Professor Simon Portegies Zwart en doctor Jeroen Bédorf om voor het blad IEEE Software te schrijven.
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Nieuwe techniek om bloedvaten te bestuderen
Sonja Boas ontwikkelde nieuwe technieken om het groeiproces van bloedvaten op computationele wijze te bestuderen. De resultaten van haar onderzoek geven een beter begrip van mechanismen in bloedvatgroei en dat is relevant voor de ontwikkeling van medische therapieën. Promotie op dinsdag 22 december…
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Computer vision en beeldverwerking
Aan de hand van de karakteristieke aspecten van een beeld kunnen bepaalde computers ons vertellen wat het beeld laat zien. Ze kunnen dit leren op dezelfde manier als jonge kinderen beelden kunnen leren herkennen. Het verder verbeteren van deze technieken opent de weg naar een hele reeks nieuwe toepassingen.…
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Philipp Kropf
Wiskunde en Natuurwetenschappen
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Insights from modeling metabolism and amoeboid cell motility in the immune system
This thesis focuses on two processes involved in fighting infections: metabolism and immune cell motility and navigation.
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Unfolding the principles of genome folding and dynamics in bacteria
Remus Dame
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Franz Wurm
Faculteit der Sociale Wetenschappen
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On the optimization of imaging pipelines
In this thesis, topics relating to the optimization of high-throughput pipelines used for imaging are discussed. In particular, different levels of implementation, i.e., conceptual, software, and hardware, are discussed and the thesis outlines how advances on each level need to be made to make gains…
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Glycosyl Cations in Glycosylation Reactions
This thesis describes the use of a combined approach of computational and experimental techniques to gain novel insights to understand the glycosylation reaction and its reactive intermediates.
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Surendra Balraadjsing
Wiskunde en Natuurwetenschappen
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Computersimulaties tonen mechanismen achter bloedvatgroei
Het bloedvatstelsel kan levenslang nieuwe bloedvaatjes vormen. Dit is nodig voor groei of wondgenezing. Bloedvatgroei speelt echter ook een belangrijke rol bij ziekteprocessen, zoals tumorgroei en oogaandoeningen. Computationeel bioloog Margriet Palm van het Centrum Wiskunde & Informatica (CWI) onderzocht…