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Field
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higher ionic conductivity [3]. Description of the work: To carry out the classical and ab-initio molecular dynamics simulation of metallic and other liquids and glasses to determine the origin of atomic
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computational and/or experimental structural biology involving protein design, molecular dynamics simulation, single particle cryo-electron microscopy, x-ray crystallography, or single-molecule FRET
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the Photon Harvesting in Plants and Biomolecules group led by Prof. Dr. Nicoletta Liguori. Our group combines state-of-the-art methods in experimental ultrafast spectroscopy and molecular dynamics simulations
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records. The Mechanical and Artificial Intelligence laboratory (MAIL), at Carnegie Mellon University is broadly interested in the application of machine learning, data science, and molecular dynamics
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, Alzheimer’s, and sickle cell disease, while also applying our techniques to molecular dynamics simulations of proteins and complexes. As a successful candidate, you will: Develop novel probabilistic network
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will be modelled by Density Functional Theory (DFT)-based Ab-initio Molecular Dynamics (AIMD) simulations to confidently predict the properties of the aerogel. The candidate will work at the RAPSODEE
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for future use. Qualifications and requirements The ideal candidate has a track record and expertise in advanced molecular dynamics simulations entailing both atomistic and coarse-grain resolution as
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and to predict it from low concentration data and mAb molecular structure. The researcher we are looking for will apply different static and dynamic scattering techniques (based on light and x-rays
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-task efforts in molecular biology, NMR, dynamic nuclear polarization (DNP) and macromolecular crystallography, and collaboration with computational scientists developing ML and AI tools for molecular
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, data science, and molecular dynamics simulations to health and bio-engineering problems. The lab is inherently a multidisciplinary group bringing together researchers with different backgrounds and