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molecular simulation PhD Projects, Programs & Scholarships

We have 41 molecular simulation PhD Projects, Programs & Scholarships

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  Development of efficient molecular simulation techniques to investigate the dynamics of dense colloidal systems
  Research Group: Multiscale Modelling
  Dr A Patti, Dr C Avendano
Applications accepted all year round
Colloids have a striking relevance in a wide spectrum of industrial formulations, spanning from personal care products to protective paints.
  Odd metal clusterings and peculiar phases in nuclear extraction processes
  Prof A Masters
Application Deadline: 1 August 2019
At the end of a nuclear reaction, many countries seek to recover unspent uranium and plutonium from the spent fuel. The most common way to do this is to dissolve the spent fuel in nitric acid, add some oil and also a special ligand.
  Phase behaviour and Dynamics of Colloidal Liquid Crystals of Board-like Particles
  Research Group: Multiscale Modelling
  Dr A Patti, Prof A Masters
Applications accepted all year round
Colloids consist of particles dispersed in a solvent, whose size, between 10 nm and 10 μm, is small enough to neglect sedimentation with respect to Brownian motion.
  Computer-aided molecular design: improved ligand docking using electronic structure and molecular dynamics simulations
  Dr R A Bryce, Dr N Burton
Applications accepted all year round
In structure-based drug design, computational modelling techniques are frequently used to predict the orientation and affinity with which a ligand binds to its protein receptor.
  (BBSCR DTP) Design of allosteric small molecule probes of fibrosis using molecular dynamics simulations
  Dr R A Bryce, Dr K Piper Hanley, Dr R Whitehead
Application Deadline: 31 January 2019
Integrins are a family of protein receptors that play a major role in cell survival, growth and migration. Their function is to transmit signals across the cell membrane by undergoing an elegant large scale structural rearrangement.
  Computational design of polymer thin films for flexible sensor devices
  Dr K Johnston, Dr L Lue
Applications accepted all year round
Ferroelectric (FE) materials offer many useful properties and are employed in various devices, including nonvolatile memory, capacitors, sensors and actuators.
  Molecular Modelling and Simulation for Solid Adsorbents for Industrial Carbon Capture
  Prof M Wang
Applications accepted all year round
Carbon capture and storage (CCS) is viewed as a key technology to reduce anthropogenic CO2 emissions worldwide. In addition to solvent based carbon capture, solid adsorbents for carbon capture have attracted researchers’ interest.
  Computational modelling of protein dynamics in heart disease
  Dr A Fornili
Applications accepted all year round
Applications are invited from self-funded candidates interested in completing a PhD starting in October 2019 in the group of Dr Arianna Fornili (https://afornililab.wordpress.com) in the School of Biological and Chemical Sciences at Queen Mary University of London.
  Simulation of chiral viruses
  Dr M A Bates
Applications accepted all year round
Background. Concentrated solutions of helical rod-like particles such as polynucleotides and polypeptides are known to form orientationally ordered liquid crystal phases.
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