1,361 search results for “computational chemistry” in the Public website
-
Bioorthogonal Chemistry: Applications in Activity-Based Protein Profiling
The close interaction between organic chemi stry and biology goes back to the late 18th century, when the modern natural sciences began to take shape. After synthetic organic chemistry arose as a discipline, organic chemists almost immediately began to pursue the synthesis of naturally occurring compounds,…
-
Algorithm selection and configuration for Noisy Intermediate Scale Quantum methods for industrial applications
Quantum hardware comes with a different computing paradigm and new ways to tackle applications. Much effort has to be put into understanding how to leverage this technology to give real-world advantages in areas of interest for industries such as combinatorial optimization or machine learning.
-
Computational linguistics
Computational linguistics uses computational methods to help answer linguistics questions across a variety of topics.
-
Computer programming
We see computer programming as an essential skill. It enables you to be self-sufficient in building tools, processing data, visualizing research output, communicating research results, etc. Moreover, it empowers you to make beautiful things.
-
Computer Committee
Task of the Computer Committee is to give advice, possibly unsolicited, on ICT matters to the Management Team of LIACS. This includes advice on ICT related policies of the faculty and university, procurement of computer and other machinery, and system administration.
-
Computational Biology
Projects within the theme ‘Computational Biology’ aim to employ mathematical or computational dynamical modelling approaches to discover novel concepts that are important for drug development.
-
Computational Linguistics
In this theme you will be supplied with a firm background in the core of current computational linguistics and a solid comprehension of its neighboring fields.
-
Computational electrocatalysis
This dissertation focused on computational methods based on first principles calculations using the Density Functional Theory (DFT) framework. Emphasis was laid on affordable methods that can provide a tradeoff between computational expense and accuracy.
-
Chemistry & Chemical Biology approaches toward novel cyclic peptide antibiotics
Can cyclic peptides provide a new generation of antibiotics?
-
Computer Science
Are you thinking about studying Computer Science? Learn more and watch the videos.
-
Computer Science
PhD candidates carry out a programme of independent research and additional (limited) course work, culminating in production of a PhD thesis in typically 4 years.
-
Breaking & Entering: PAH photodissociation and top-down chemistry
Laboratory, observation and modeling work on the dissociation of polycyclic aromatic hydrocarbons in interstellar environments and the formation of new molecular species through the fragmentation process.
-
LED3 Lecture: Harnessing the Chemistry of Natural Product Biosynthesis
Lecture
-
Observing what cannot be observed: computational electrochemistry from carbon to hydrogen
In this thesis, we consider various (electro)chemical phenomena at surfaces and nanoparticles and their underlying atomistic processes, which we studied using first-principles methods such as density functional theory.
-
Advances in computational methods for Quantum Field Theory calculations
In this work we describe three methods to improve the performance of Quantum Field Theory calculations.
-
Computed fingertip touch for the instrumental control of musical sound with an excursion on the computed retinal afterimage
Promotor: Prof.dr. S. Haring
-
Assistant Professor in Theoretical Computer Science
Science, Leiden Institute of Advanced Computer Science (LIACS)
-
Search and rescue: tackling antibiotic resistance with chemistry
With the rise of multi-drug resistant bacterial pathogens, the possibility of a post-antibiotic world is quickly becoming reality.
-
Foundations of Computing (MSc)
The master's specialisation Bioinformatics at Leiden University focuses on research, development and application of computational tools and approaches for expanding the use of biological, medical, behavioral and health data.
-
Computer Science (MSc)
The two-year master’s programme in Computer Science at Leiden University offers seven specialisations ranging from AI to Bioinformatics and Data Science. The programme combines excellent theoretical teaching with possibilities for applied work with industrial relevance.
-
Stereotyping in Computer Science
LIACS is partner in the project 'Stereotyping in Computer Science.' The project is a collaboration between multiple universities and the Dutch national expert organization on girls/women and science/technology (VHTO), which will investigate the stereotypes that children hold about computer scientist…
-
Bio-inspired Computing
We investigate reaction systems, a novel computational model gleaned from the biochemical reactions taking place in living cells and information processing in nature.
-
High performance computing
A high performance computer or supercomputer owes its massive processing capacity to the fact that it chops a single overarching task into a whole series of smaller tasks. It simultaneously tackles each of those smaller problems.
-
Computer Science (BSc)
We are becoming ever more dependent on automation systems in our daily lives. Computer Science is more than programming; you integrate maths and logic into the development of systems and solutions that can be applied in all fields - from business to healthcare.
-
Handbook of Natural Computing
Natural Computing investigates algorithms and phenonema based on nature to create better and new computer science innovations.
-
Computability of the étale Euler-Poincaré characteristic
Promotor: S.J. Edixhoven, L.D.J. Taelman
-
Computational Network Science Lab
The Leiden Computational Network Science Lab (CNS Lab) researches methods for knowledge discovery from real-world network data.
-
Computer Science & Economics (BSc)
Met de bachelorspecialisatie Informatica & Economie aan de Universiteit Leiden leer je waardevolle inzichten in de economie te combineren met (programmeer)vaardigheden en kennis uit de informatica.
-
Chemistry in embedded disks: setting the stage for planet formation
To address the fundamental questions of how life on Earth emerged and how common life may be in the Universe, it is crucial to know the chemical composition of the planet-forming material.
-
Analytical chemistry and biochemistry of glycosphingolipids: new developments and insights
Advanced mass spectrometry of glycosphingolipids takes the central stage in this thesis. Investigations focus on characterization of glycosphingolipid metabolism in health and disease with emphasis to the detection and accurate quantitation of known and so far unknown glycosphingolipids and closely…
-
Computer support group
The Computer Support group provides dedicated support for the computing infrastructure of Leiden Observatory
-
Artifical intelligence gets a boost from quantum computing
Machine learning - on classical computers- has made great progress in the past five years. Computer translation of speech and text is just one example. In Leiden, some researchers expect that machine learning, empowered by quantum systems, even if they only contain a few dozen qubits, can lead to a…
-
PhD Candidate, Energy Efficient GPU Computing
Science, Leiden Institute of Advanced Computer Science (LIACS)
-
Oxidation catalysis on Pt and Au: complexity of simple chemistry
Promotor: J.W.M. Frenken Co-Promotores: I.M.N. Groot; L.B.F. Juurlink
-
Advanced Computing and Systems (MSc)
The master's specialisation Bioinformatics at Leiden University focuses on research, development and application of computational tools and approaches for expanding the use of biological, medical, behavioral and health data.
-
Computer Science and Education (MSc)
The master’s specialisation Computer Science and Education at Leiden University prepares students to teach the subject of biology to secondary school students. The programme comprises a one-year Computer Science component, followed by an education component in the second year.
-
Data Science: Computer Science (MSc)
The master's specialisation Data Science: Computer Science at Leiden University provides students thorough knowledge and understanding of statistical and computational aspects of data analysis, including their application in databases, advances in data mining, networks, pattern recognition, and deep…
-
Postdoc Computational Modeling for Drug Safety Prediction
Science, Leiden Academic Centre for Drug Research (LACDR)
-
ALICE High Performance Computing facility
High Performance Computing (HPC) is becoming ever more important as a research tool in many research areas across all research domains. A University facility, providing serious computational capabilities, combined with easy and flexible local access, is a strong advantage for these research areas. It…
-
Under Construction. Cognitive and Computational Aspects of Extended Lexical Units
This dissertation investigates Extended Lexical Units (ELUs), elements that are bigger than just one word and which are stored in the Lexicon.
-
Computational modeling of angiogenesis: from matrix invasion to lumen formation
Promotor: Roeland M.H. Merks
-
Computer Science at Leiden University
Leiden Institute of Advanced Computer Science (LIACS)
-
Large-scale Computing Infrastructure
Large-scale computing infrastructure, such as supercomputers, cluster, and clouds, are already pervasive, most members of our society interact with them daily: social networks, government services, media streaming services--all systems heavily interfacing with the members of our society--are powered…
-
Protoplanetary disk anatomy: examining the structure and chemistry of planetary birthplaces with simple molecules
This thesis examines the link between simple molecules and the underlying structure and chemistry within protoplanetary disks - the birthplaces of planets.
-
Methods to simulate fermions on quantum computers with hardware limitations
This thesis is a collection of theoretical works aiming at adjusting quantum algorithms to the hardware of quantum computers.
-
MODOMA: A computer-simulated laboratory-approach towards language acquisition
The goal of the MODOMA-project is to create a computer model of language acquisition.
-
Non-equilibrium chemistry and cooling in simulations of galaxy formation
Promotor: J. Schaye
-
A document classifier for medicinal chemistry publications trained on the ChEMBL corpus
Source: J Cheminform, Volume 6, Issue 1 (2014)
-
Bioinformatics Data analytics Computational Biology
LUMC Technology Focus Area (TFA) Data Analytics is een samenwerkingsverband van verschillende onderzoeksgroepen in het LUMC die nieuwe kwantitatieve en computationele methodologie ontwikkelen voor biomedisch en klinisch onderzoek.
-
Machine learning and computer vision for urban drainage inspections
Sewer pipes are an essential infrastructure in modern society and their proper operation is important for public health. To keep sewer pipes operational as much as possible, periodical inspections for defects are performed.