1,146 search results for “computational chemistry” in the Public website
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Strategies for braiding and ground state preparation in digital quantum hardware
With the help of quantum mechanics, digital quantum hardware may be able to tackle some of the problems that are too difficult for ordinary computers. But despite these expectations and the ongoing effort of the research community, reliable quantum computers are not yet realized in a lab setting.
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Education
The specialisation Science Communication and Society (SCS) concerns science communication in a broad sense. The program focuses on the link between science and society and covers knowledge and skills in the field of science communication.
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‘The first quantum computer will fill a sports hall’
The worldwide race to the quantum computer is in full swing. This computer can bring about a breakthrough in discovering medicines and new materials. Leiden researchers, together with the TU Delft, are taking part in the race. There is now a dossier online about their work.
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Quantum computing pioneer Seth Lloyd is the 2019 Lorentz Professor
American physicist and quantum computing pioneer Seth Lloyd is the 65th Lorentz professor. He will deliver the Ehrenfest lecture on 5 June, and several more lectures on quantum computing on 11, 18 and 25 June.
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Master Computer Science in Leiden nr.1 according to Elsevier
Master Computer Science in Leiden nr.1 according to Elsevier
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From Descriptive to Predictive Pharmacology in Children using Semi-Physiological population modelling
An integrated approach of physiological concepts, advanced statistical approaches and large clinical datasets.
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Multi-dimensional feature and data mining
In this thesis we explore machine and deep learning approaches that address keychallenges in high dimensional problem areas and also in improving accuracy in wellknown problems. In high dimensional contexts, we have focused on computational fluid dynamics (CFD) simulations.
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Computer Science: half in Beijing and half in Leiden
Leiden University and the Beijing Institute of Technology will be collaborating in the area of computer science teaching and research. One of the first outcomes of this collaboration will be a joint four-year bachelor's programme. Willem te Beest, Vice-President of the Executive Board, and Professor…
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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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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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Astrolinguistics
Design of a Linguistic System for Interstellar Communication Based on Logic
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Deep learning for visual understanding
With the dramatic growth of the image data on the web, there is an increasing demand of the algorithms capable of understanding the visual information automatically.
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Teaching
At Molecular Physiology we teach the following courses within the Leiden Institute of Chemistry's Chemistry and Life Science and Technology programmes.
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Computer science research in Leiden of major relevance to society
An international committee has assessed computer science research at all Dutch universities in the period 2009-2014. For its computer science research, Leiden was awarded the ‘highest’ mark (1) for relevance to society.
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Contact
The Faculty of Science is housed in various buildings situated in the Bio Science Park Leiden.
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Thiosugars: reactivity, methodology and applications
Carbohydrates, alongside proteins and nucleic acids, constitute a crucial and versatile family of biomolecules present in all life forms. They manifest as monosaccharides, oligosaccharides, and polysaccharides, covalently bonded to proteins and fats. Carbohydrates are integral to plant and arthropod…
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Caging ruthenium complexes with non-toxic ligands for photoactivated chemotherapy
The main goal of the research described in this thesis was the development of new photoactivated chemotherapy (PACT) ruthenium(II) complexes bearing a non-toxic photolabile ligand.
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History
Life Sciences Artificial Intelligence Data Science
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Interfacing the past
Computer applications and quantitative methods in archaeology CAA95.
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Teaching synthetic molecules how to communicate
Although Sander Wezenberg just started working in Leiden in March this year, he already managed to win a Vidi grant from NWO. Inspired by nature, Wezenberg wants to bring synthetic molecules to life and teach them to communicate. But who exactly is Wezenberg and what drives him?
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Science
There are eight institutes at the Faculty of Mathematics and Natural Sciences:
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New IBL-professor in "Computational Biology": Vera van Noort
Vera van Noort has been appointed Professor in the field of Computational Biology within the Faculty of Science at the Institute of Biology from the 1st of February 2017. Van Noort’s expertise is in bioinformatics and her research focuses on the computational analysis of large-scale biological data…
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Life work award for computer scientist Grzegorz Rozenberg
Leiden prof. emeritus Grzegorz Rozenberg is honoured with the first life time award in formal languages, a research area of theoretical computer science. During a small ceremony at his house, he received a statue that was specially made for the occasion.
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Jorrit Smit
Faculteit der Sociale Wetenschappen
j.p.smit@cwts.leidenuniv.nl | +31 71 527 2727
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Elmer Maurits
Science
e.maurits@lic.leidenuniv.nl | +31 71 527 2727
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Anthe Janssen
Science
a.p.a.janssen@lic.leidenuniv.nl | +31 71 527 4362
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Assistant Professor in Protein Design
Science, Leiden Institute of Chemistry (LIC)
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Redox Interconversion between Metal Thiolate and Disulfide Compounds
In the last decade, the redox interconversion between metal thiolate and disulfide compounds has been extensively investigated for copper, but not for other transition metal ions.
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Inhibitors and probes targeting mannanases
This thesis describes the synthesis and biochemical evaluation of a variety of cyclophellitol based activity-based probes and inhibitors targeting various endo- and exo-acting retaining glycosidases. In the last two decades a variety of probes and inhibitors for (hemi)cellulose degrading enzymes have…
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The electrochemical reduction of dioxygen and hydrogen peroxide by molecular copper catalysts
The electrochemical oxygen reduction reaction (ORR) is an essential half-reaction for the utilization of hydrogen as a sustainable fuel, via the conversion of hydrogen to electrons and protons facilitated by the ORR. In the most common fuel cells, the ORR is requires high loadings of non-abundant platinum…
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Why Leiden University?
Our programmes are known for our scientifically based education and for our open atmosphere.
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Why Leiden University?
Our programmes are known for our scientifically based education and for our open atmosphere.
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Why Leiden University?
Our programmes are known for our scientifically based education and for our open atmosphere.
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Why Leiden University?
Our programmes are known for our scientifically based education and for our open atmosphere.
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Why Leiden University?
Our programmes are known for our scientifically based education and for our open atmosphere.
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Why Leiden University?
Our programmes are known for our scientifically based education and for our open atmosphere.
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Article on Affective Computing by Andreas Häuselmann published in IDPL
Affective Computing (AC and sometimes called ‘Emotional AI’) provides opportunities to automatically process emotional data. However, is EU data protection law fit for purpose when it is applied to such AC approaches?
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Granted STW Project: Energy Efficient Computer-Brain Interaction
The STW project Energy Efficient Computer-Brain Interaction (principal investigator for LIACS: dr. T.P. Stefanov) has been granted. Funding for LIACS: 1 PhD student + travel/equipment budget, project duration: 4 years.
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Flat but not shallow. Towards flatter representations in deep semantic parsing for precise and feasible inferencing
Simulating human language understanding on the computer is a great challenge. A way to approach it is to represent natural language meanings in logic, and to use logical provers to determine what does and does not follow from a text. What logic is best to use and how natural language meanings are best…
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Tailoring x-ray tomography techniques for cultural heritage research
Visualizing the internal structure is a crucial step in acquiring knowledge about the origin, state, and composition of cultural heritage artifacts. Among the most powerful techniques for exposing the interior of cultural heritage objects is computed tomography (CT), a technique that computationally…
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Research
Developing computational algorithms for structural biology -A high resolution, three dimensional view of a molecule provides detailed information that help elucidate its function: by knowing the exact arrangement of atoms in a molecule, we can understand disease, develop drugs to combat them and improve…
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In Pursuit of Next-Generation Lipopeptide Antibiotics
Can new variants of daptomycin and the polymyxins be found?
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Computational tools reveal secrets of 17th-century sealed letter
In a world first, an international team of researchers has read an unopened letter from Renaissance Europe – without breaking its seal or damaging it in any way. Nadine Akkerman, Reader in early modern English literature at Leiden University, is co-author of the article that appeared on 2 March in Nature…
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Exploring Images With Deep Learning for Classification, Retrieval and Synthesis
In 2018, the number of mobile phone users will reach about 4.9 billion. Assuming an average of 5 photos taken per day using the built-in cameras would result in about 9 trillion photos annually.
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Activity-based proteomics of the endocannabinoid system
This thesis describes the use of an activity-based proteomics method to study the endocannabinoid system.
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Quantum machine learning: on the design, trainability and noise-robustness of near-term algorithms
This thesis addresses questions on effectively using variational quantum circuits for machine learning tasks.
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Why Leiden University?
We are committed to provide you with meaningful, rigorous and quality graduate experiences in a personalized environment with a cutting edge research infrastructure and internationally renowned supervisors.
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Sebastian Pomplun
Science
s.j.pomplun@lacdr.leidenuniv.nl | +31 71 527 4651
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Sander Wezenberg
Science
s.j.wezenberg@lic.leidenuniv.nl | +31 71 527 4541
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Strategies for Mechanical Metamaterial Design
On a structural level, the properties featured by a majority of mechanical metamaterials can be ascribed to the finite number of soft internal degrees-of freedom allowing for low-energy deformations.