5 molecular-simulation positions at University of Sheffield in United Kingdom

Molecular Modelling and Simulation for Solid Adsorbents for Industrial Carbon Capture

Molecular Modelling and Simulation for Solid Adsorbents for Industrial Carbon Capture Department of Chemical & Biological Engineering PhD Research Project Self Funded Prof Meihong Wang Application

Simulating Materials for Fusion Energy: Exploring Dislocation Mobility in the Presence of Abundant Point Defects

to an abundance of point defects, which change the mechanisms by which plastic deformation occurs, and empirical data are limited. In this project, you will use classical molecular dynamics simulations to study the

Using Multivariate Statistical Surrogate Models of Displacement Cascades To Simulate High-dose Irradiation Damage

classical molecular dynamic simulations. Next you will characterise the populations of defects produced by these events, developing statistical descriptors of the damage using both traditional approaches and

Exploring Dislocation Mobility in the Presence of Abundant Point Defects

plastic deformation occurs, and empirical data are limited. In this project, you will use classical molecular dynamics simulations to study the mechanisms by which dislocation defects (responsible

Intelligent Algorithms for Sustainability

columns, heat exchangers) and their connectivity. New algorithms are required for Integrated Molecular and Process Synthesis (IMPS), that is the activity of choosing the best-fit molecules, unit operations