|CCL 20.03.03 PhD training in Chemistry (Computational (Bio-)Molecular Dynamics), Innsbruck; Austria|
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Date: Tue Mar 3 08:27:56 2020
Subject: 20.03.03 PhD training in Chemistry (Computational (Bio-)Molecular Dynamics), Innsbruck; Austria
PhD training in Chemistry DOCC is an interdisciplinary Marie Skodowska-Curie COFUND doctoral programme at the University of Innsbruck that will train 15 PhD students for 3 years on modelling and simulation of complex dynamical continuum systems. DOCC prepares Europe's next top modellers to link simulations and the real world within a multi-disciplinary environment, by providing beyond essential technical expertise also the training in key abilities to communicate and transfer methods and results. The Theoretical Chemistry Section (https://liedllab.org) offers for a period of three years a PhD fellowship in the frame of DP DOCC (https://docc.eu) in the research area of Computational (Bio-)Molecular Dynamics Proposed Projects: Machine Learning in Analysis of Molecular Dynamics Simulations (CMD-1) Molecular dynamics simulations result in large amounts of data. Thus, state of the art methods relying on information theory and stochastics need to be developed and optimized to describe properties like hydration and aggregation. Pattern recognition of electrostatic and hydrophobic properties on complex surfaces will be applied using cutting-edge machine learning techniques. The aim of the project is to develop artificial intelligence-driven solutions for the development of therapeutic antibodies and related biologics. Reweighting and regularisation for accelerated biomolecular dynamics simulations (CMD-2) Biomolecular processes occur on time scales not yet accessible by conventional molecular dynamics simulations. Different algorithms have been developed that modify the energy landscape to access longer time scales. However, after modification of the energy landscape, probabilities of the conformations have to be reweighted to regain a realistic ensemble. Most existing algorithms for reweighting suffer from large errors resulting in distorted probability distributions. In this project we will develop an alternative and more reliable solution to this problem based on Tikhonov type functionals. Project proposed by the candidate: Please contact the future supervisor, Prof. Klaus Liedl (klaus.liedl ~ uibk.ac.at), for a letter of support if you wish to propose an own project. Admission Requirements: Master's degree in chemistry, biophysics, mathematics or informatics (or equivalent). Application deadline: 8th of April 2020 The successful candidate will be part of the highly active Theoretical Chemistry Section, which is internationally well integrated in the scientific communities of molecular dynamics and numerical chemistry. The PhD research work should preferably start in the period between 06/2020 and 08/2020. We offer an employment contract for 3 years, with an annual gross salary of around 40'103 EUR (susceptible to taxes) for 40 hour/week employment. All PhD fellows will be liable to full medical and social contributions according to the Austrian federal legislation, implying a retirement scheme and (partly paid) parental leave. More information on DP DOCC, requirements and eligibility criteria, and the application and recruiting process are available on the following website: https://docc.eu Specific questions regarding the PhD topic should be directed to Prof. Klaus Liedl, e-mail: klaus.liedl ~ uibk.ac.at. Innsbruck is a university city situated in Austria, Europe. It offers a wide variety of cultural activities and is ideally situated for winter sports and hiking. English is widely spoken.NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
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