1,326 molecular-simulation positions

Doctoral student in Molecular simulation of wetting

(energetics), but also differences in dynamic behavior of liquids at the contact line. Molecular dynamics simulations enable us to disentangle such effects and will allow to rationalize behavior observed in

PhD Studentship - Using Natural Language Processing and Molecular Simulations to Build Polymer Databases

of Manchester from October 2024. The use of machine learning methods and molecular simulations for polymer design and property prediction is the new frontier in polymer science. This project aims at using a mix

Calculation of drag reduction in graphene through neural-network molecular dynamics simulations

drag reduction in graphene with a combination of electronic structure methods and large-scale atomistic molecular dynamics (MD) powered by machine learning and high-performance computing (HPC). The first

PhD Studentship: Ageing Assessment of Transformer Insulation Systems through Molecular Dynamic Simulation

interpret the ageing results obtained from the experiments as well as to identify potential new ageing markers. Computational chemical modelling which also called Molecular Dynamic (MD) simulation is becoming

PhD Studentship: Molecular Simulations and Data-driven Modelling for Polymer Nanocomposite Membranes

potential exists in their application to the design of Mixed Matrix Membranes for gas separation. The goal of this project is to apply molecular simulations and machine learning techniques to design MMMs with

Paramétrisation de champs de force et simulations par dynamique moléculaire réactive de l'oxydation d'alliages complexes à haute température // Force field paramettrization and reactive molecular

molecular dynamics simulations of its oxidation. The method will then be applied to new systems, therefore less known, with a view to predicting their behavior under oxidation

M/W postdoctoral position in large-scale molecular simulations, machine learning, and statistical mechanics

with interests in molecular simulations, machine learning, and statistical mechanics for research opportunities in: • Development of data-driven schemes for the discovery of slow degrees of freedom

Postdoctoral Researcher/Project Researcher, Molecular Dynamics Simulations

specific emphasis on Molecular Dynamics (MD) simulations and a preference for expertise in protein-RNA simulations. We are seeking a highly motivated and qualified candidate with a strong background in

Ph.D. (M/F): Mechanics of swelling clay faults from molecular simulation to earthquakes

the clay mineral layer to the fault. This Ph.D. project focuses on the modeling of part of the SMEC project. More precisely, we propose to combine molecular simulations, granular modeling and micromechanics

PhD Candidate in Molecular Dynamic Simulations for Thermo-chemical Plastic Recycling

-up of pure polymers and composites under high temperatures and fast heating rates through molecular dynamic simulations. For a position as a PhD Candidate, the goal is a completed doctoral education up