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.

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

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.

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.

David Versluis successfully simulated an infant gut virtually. This is crucial for research on improvements in formula milk. Currently, such research primarily relies on diaper contents, which is not optimal. Versluis defended his doctoral thesis on April 23.

Doğukan Yilmaz chose a study that aligned with his favourite subjects, and it paid off. For his bachelor thesis, he developed a new model to better predict an important chemical reaction. ‘On the edge of what is possible at the bachelor level,’ his supervisors write. Thanks to his impressive achievements,…

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

Not only dark matter, but also ordinary matter and dark energy are tracked in the largest ever cosmological computer simulation ever. In the FLAMINGO simulations, you can see virtual galaxies and clusters of galaxies emerging over the course of billions of years. This is no easy task: with more than…

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.

Simulations of galaxy formation provide much more information about galaxies than a telescope. Simulations have been improving significantly in recent years. Astronomer Evgenii Chaikin made such a significant contribution to this field that he graduated with honours on February 27th.

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.

Leiden astronomy Master's student Arend Moerman has received an A+ for his thesis research on the simulation of chaotic interactions of three black holes. The simulations, which he carried out together with his Leiden and Oxford colleagues, show that lighter black holes tend to slingshot each other…

What if I completely changed everything? A subject without lectures or exams, where the right answer is not important and where students work with their hands. With this idea, Michiel Brentjens reformed the course Radioastronomy. His students are so enthusiastic about this approach that they nominated…

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

Promotor: Prof.dr. J.N. Kok

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

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

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

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

PhD defence

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.

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.

Single-celled organisms have stiffer DNA than multicellular lifeforms like humans and rice. Theoretical physicists managed to simulate the folding in full genomes for the first time to reach this conclusion. Publication in Biophysical Journal on February 7.

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