1,342 search results for “computational chemistry” in the Public website
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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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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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Six Computer Science master students excel and go to Oxford
Six master students of the Computer Science programme will present their papers on future cities at the NetMob conference in Oxford. The six papers were part of the international Future Cities Challenge and made it to the top 10 of all entries.
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Anthe Janssen
Science
a.p.a.janssen@lic.leidenuniv.nl | +31 71 527 4362
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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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Horses and Computers - First Year LIACS Student Wins KHMW Prize
Winning an award at the start of your studies? No problem! Lieke Vertegaal is 20 years old and a first-year Computer Science student at Leiden University. On November 29, 2021, the Royal Dutch Academy of Sciences (KHMW) awarded her a Young Talent incentive award.
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College or university? Computer science students in the right place
The right student in the right place. That is what LIACS program director Frank Takes and education coordinator Joyce Glerum are aiming to do with the ‘Wisselstroom’ project. By next year, they hope to have a standardized protocol that will make it easier for computer science students to transfer from…
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Computer science students second-best in national hacking competition
On September 7, the Leiden Institute of Advanced Computer Science participated with a team of six students in the first edition of the Capture the Flag event 'Challenge the Cyber'. They were placed second in this national hacking competition for students.
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Assistant Professor in Protein Design
Science, Leiden Institute of Chemistry (LIC)
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The quantum computer: it doesn't exist yet, but still we understand increasingly better what problems it can solve
How do we know what a quantum computer is good for when it hasn't been built yet? That's what PhD candidate Casper Gyurik investigated by combining two terms you often hear: quantum computing and machine learning.
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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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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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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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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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A computational tool that will transform bacterial genome analysis
Whether a microbe is beneficial or harmful to a plant can now be predicted with high accuracy thanks to bacLIFE. This bioinformatic tool with an intuitive interface makes it much easier to unlock the secrets of bacterial genomes. A group of Leiden biologists presented it in Nature Communications.
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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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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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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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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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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.
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Algebraic techniques for low communication secure protocols
Promotor: R. Cramer
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Exo-planets, star and planet formation
At Leiden Observatory, researchers investigate the origin of stars and their planetary systems. They detect and characterize planets around other stars, which are called exo-planets. They study how stars and planets form. And they follow molecules from interstellar clouds to nascent planet systems.…
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Why Leiden University?
The Leiden Institute of Chemistry (LIC) offers a unique tailor-made programme in Chemistry. You can customize the programme to your own interests and ambitions with the help of your own personal mentor. Your study will focus on either Chemical Biology or Energy & Sustainability. During the Master's…
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Computer program AlphaStar reaches professional level in video game StarCraft II
For the first time, a computer can compete with the very best human players in StarCraft II, a video game played by tens of thousands at a professional level and by millions just for fun. Mike Preuss, university lecturer at the Leiden Institute of Advanced Computer Science (LIACS) responds to the achievement…
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Thomas Bäck and Hao Wang new Editors in chief of the Evolutionary Computation Journal
LIACS scholars Thomas Bäck and Hao Wang will be the new Editors-in-Chief of the Evolutionary Computation Journal from November 1. Published by MIT Press since its foundation in 1993, the journal stands as a keystone in the field, providing a global platform for researchers exploring the workings of…
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Computer Science on place 51 in QS World Universities Ranking 2011
Computer Science on place 51 in QS World Universities Ranking 2011
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Data mining and algorithm development
Due to the modern techniques of combinatorial chemistry and high-throughput screening, data on the biological activity of many millions of compounds is known. However, it is still very difficult to transfer this data into knowledge: if we know that compounds A and B bind to a certain protein with high…
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Thomas Hansen wins the KNCV-Backer Prize
Thomas Hansen is the recipient of the 2020 KNCV-Backer Prize for best organic chemistry thesis in the Netherlands.
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Clavis Aurea? Structure-enabled approaches of identifying and optimizing GPCR ligands
Promotores: A.P. IJzerman, H.W.T. van Vlijmen
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Towards a comprehensive and predictive theory of catalysis based on simple structure-activity relations
Can we tailor catalysts at the atomic scale by means of high-school chemistry and geometry rules?
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Contact
Contact Biophysical Organic Chemistry/Solid State NMR
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Education
Education & outreach
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Adolescents' responses to online peer conflict: How self‐evaluation and ethnicity matter
In online games conflicts between players may arise. Novin, Bos, Stevenson and Rieffe investigated factors that may explain why some adolescents react more angrily than others in this type of situation. In their realistically designed gaming environment, the (pre-programmed) fellow player suddenly started…