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.

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…

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.

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…

Promotor: J. Schaye

Promotores: H. Schiessel, G.T. Barkema

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

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…

Simulation is a formal scientific method used to develop, compare and test hypotheses (models). In the last few decades the use of simulation has increased dramatically in virtually all scientific disciplines, but is still limited in archaeology due to the technological barrier – coding skills. Starting…

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

Archaeologist Fulco Scherjon has used computer simulations to identify where and how Neanderthals lived in West Europe. What stood out was that they probably had lots of children and lived in smaller groups than was previously thought. PhD defence on 28 May.

From 11-13 April 2019, a group of 11 students from LUC and the Advanced MSc. programme in International Relations and Diplomacy attended the event NATO@70 in Portugal – Countering hybrid threats with hybrid containment: NATO’s mission for the 21st century. Leiden University’s participation in the event…

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

Archaeologists often use the percentages of heat-affected stone or bone artifacts found at archaeological sites as a way to determine how frequently fire was used by the inhabitants. Andrew Sorensen and Fulco Scherjon have come up with a computer model called 'fiReproxies' to simulate how fires used…

On 9, 11 and 13 October the ‘The Hague Peace Conference Simulation’ took place at the Wijnhaven building of Leiden University.

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.

It is a known trait in humans to anchor innovations in the past, so as to make new developments easier to accept. It is an aspect of humanity that can also be spotted in classical and prehistoric times. Archaeologist Daniel Turner will investigate the anchoring of monumental building in Greek Prehistory…

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.

Conference

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

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.

Samineh Bagheri is our Leiden Institute of Advanced Computer Science’s nominee for the C.J. Kok Jury Award 2020.

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.

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.

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]

PhD Defence

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: M.T.M. Koper, Co-Promotor: L.B.F. Juurlink

Biomolecular X-ray structures typically provide a static, time- and ensemble-averaged view of molecular ensembles in crystals. In the absence of rigid-body motions and lattice defects, B-factors are thought to accurately reflect the structural heterogeneity of such ensembles.

This study presents an agent-based simulation model exploring the patterns of presence and absence of Late Pleistocene Neanderthals in western Europe.

Even a small quantum computer should be able to simulate exactly the properties and behaviour of new molecules. This would take chemistry to an entirely new level. Better solar panels, more powerful batteries, saving lots of energy in the chemical industry: the applications have the potential to transform…