Theorists have recently made substantial progress in simulating reactive molecule-metal surface scattering but still face major challenges. The grand challenge is to develop an approach that enables accurate predictive calculations of reactions involving electronically excited states with potential…

Circumstellar discs are the reservoirs of gas and dust that surround young stars and have the potential to become planetary systems.

This thesis is a collection of theoretical works aiming at adjusting quantum algorithms to the hardware of quantum computers.

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…

Modern computer-aided simulation tools used by various industries produce gigabytes of data. But currently, they take days and even up to weeks of computation effort. To make the best use of all these data, the DAMIOSO project focuses on developing algorithms and tools for managing, mining, and optimizing…

Heterogeneous catalyzed processes are highly significant to the chemical industry. Dissociative chemisorption (DC) of molecules on surfaces is always considered as a step with a high degree of rate control for heterogeneous catalysis.

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.

This perspective addresses four challenges facing theorists whose aim is to make quantitatively accurate predictions for reactions of molecules on metal surfaces, and suggests ways of meeting these challenges, focusing on dissociative chemisorption reactions of H2, N2, and CH4.

Galaxies in the Universe are distributed along the intricate framework of the Cosmic Web. Groups and clusters of galaxies comprise the densest regions in this network, and therefore, are excellent cosmic laboratories to study different aspects of galaxy evolution in extreme environments.

HomininSpace is an agent based modelling and simulation system in which fluctuating carrying capacity is the key attractor for hominin dispersal. A parameterized and spatially explicit reconstructed palaeo-environment models available energy in the form of secondary biomass using reconstructed climate…

Understanding how galaxies form, interact, and evolve comes largely from comparing theory predictions with observational data. Numerical simulations of galaxies provide the most accurate approach to testing the theory, as they follow the non-linear evolution of gas and dark matter in great detail and…

Promotor: J. Schaye

Promotores: H. Schiessel, G.T. Barkema

This study aims to explore the use of a behavioral-design-based approach in simulating patient flow through EMTs. It provides a dynamic behavioral simulation model to assess the interactions between patients, staff members, and the related dynamic movements/interactions with the health care facility,…

I have studied the hot, diffuse gas around and between galaxies. Specifically, I have used the EAGLE numerical simulations of galaxy formation to predict the properties of this gas, and I have used those properties to predict specific observables: soft X-ray absorption and emission lines.

Catalysis is of extreme relevance in the production of everyday materials and plays a central role in many aspects of our life.

The formation of stars and planets happens over multiple scales, which can interact. In particular, planet formation happens in the dense, complex environment of star forming regions.

Methods for accurately computing the interaction of molecules with metal surfaces are critical to understanding and thereby improving heterogeneous catalysis.

The goal of the MODOMA-project is to create a computer model of language acquisition.

One of the key limitations of the direct imaging of exoplanets at small angular separations are quasi-static speckles that originate from evolving non-common path aberrations (NCPA) to which the primary adaptive optics system is inherently blind. The main focus of this thesis is the development and…

Promotor: Prof.dr. R.M.H. Merks

This thesis aims to enhance our understanding of galaxies by testing theoretical models of galaxy formation against observations, particularly in the cases of extreme systems which have been found to have an excess of baryonic mass in their central regions, in the form of either supermassive black holes…

This book is about what happens when two people meet. Its main aim is to present an account of intersubjectivity.

Promotor: Prof.dr. J. Schaye, Co-promotor: Marcello Cacciato

Tuberculosis (TB) is associated with 1.5 million deaths annually. There is a need exists to optimize both current as well as novel antibiotic combination treatment strategies to improve the effectiveness and safety of treatments against TB.

The energy system is at the heart of two of the greatest challenges of the 21st century: decreasing CO2 emissions to meet the ambitions of the Paris agreement while fulfilling the growing energy demand associated with the economic aspirations of a growing world population.

Promotores: Prof.dr. J. Schaye & Prof.dr. C. Steidel (California Institute of Technology)

Promotor: Prof.dr. J.N. Kok

This thesis covers various applications of topology in condensed matter physics and quantum information.

In this thesis, mathematical modeling and simulation was applied as a tool to inform quantitative decision making in oncology drug discovery and development.

Promotors: Prof.dr. T.H.W. Bäck, Prof.dr. B. Sendhoff (Technische Universität Darmstadt)

Antimicrobial drugs constitute a fundamental part of modern medicine. The global rise in antimicrobial resistance poses a major threat to global health.

Simulations of galaxies help researchers understand astronomical observations better. The EAGLE simulation, a large project in which Leiden astronomers play a leading role, shows the evolution of the Universe, from just after the Big Bang to the present day.

Galaxies form and evolve through close interaction with their surroundings. As a result, the heavy elements ('metals') that are synthesized in stars, are found both inside and outside galaxies.

The genetic information of all living organisms is contained in their DNA. Cells modify the degree of DNA compaction by epigenetics, which largely determines what genes are read out and which genes are transcriptionally silent.

By training with virtual opponents known as computer generated forces (CGFs), trainee fighter pilots can build the experience necessary for air combat operations, at a fraction of the cost of training with real aircraft.

M. Danhof, Co-promotor: O.E. Della Pasqua

Growth hormone profiles are pulsatile and highly variable between individuals, limiting the implementation of mathemathical models to quantify an individual's secretion.

Promotor: Prof.dr. S. Portegies Zwart

During my PhD research, I studied the photon statistics of light emitted by a microcavity that contains a single quantum dot (QD) on resonance.

Promotor: Prof.dr. S.F. Portegies Zwart

We simulate interstellar clouds with special plasma expansions and chemical reactions on icy dust grains to be measured in ultra-high vacuum setups. This provides the data necessary to guide and interpret astronomical observations and to model reaction networks in space. [Harold Linnartz]

Lecture