7 molecular dynamics simulation PhD positions in Australia

PhD Quantifying the Hofmeister Series in Complex Electrolytes

This project will apply quantum chemistry and molecular dynamics simulations to the study of Hofmeister and specific ion effects in complex electrolytes, including non-aqueous solvents, deep

PhD Scholarship in Developing Solid Electrolytes using Machine Learning

knowledge and experiences Modelling experience (e.g., Molecular dynamics simulations) Prior research experience, especially in science, material science or engineering, material physics, chemistry, or related

PhD Scholarship & CSIRO Top-up in Computational Materials Chemistry/Physics

sensing, to improve worker/operator safety. This project will focus on using density functional theory calculations and ab initio molecular dynamics simulations. The project is a collaboration with Dr

PhD scholarship in computational chemistry

, you should then submit an application for ‘Admission Only’ via the Online application service. A strong background in Linux, DFT, and molecular dynamics simulations is highly desirable. A strong

PhD position: New alloy design approach for Mg alloys

to employ the density functional theory, machine learning interatomic potential, molecular dynamic simulations, and Monte Carlo simulations for the much-needed knowledge of how some typical solute atoms

PhD position: Shape shifting molecules

structures can be studied by modelling the gas-phase dynamics of the various carbon structures in conditions mimicking the interstellar medium. Project goals: Optimise carbon structures using simulations

PhD Scholarship in Computational Biophysics: Potassium Channel Simulations

The aim of this project is to describe ion conduction and activation/inactivation processes by employing molecular dynamics and statistical mechanical methods. The expected outcome is an improved