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Computational Chemistry (january) PhD Projects, Programs & Scholarships

We have 9 Computational Chemistry (january) PhD Projects, Programs & Scholarships

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  Atomistic modelling of fracture for irradiated materials
  Dr J Kermode
Applications accepted all year round

Funding Type

PhD Type

Reactor pressure vessel (RPV) steels used in nuclear power plants have very complex behaviour due to the large number of alloying elements.
  Gone in a flash: Femtosecond laser ablation of nanostructured alloys
  Dr P Brommer
Applications accepted all year round

Funding Type

PhD Type

Laser ablation, the removal of material with intense light pulses, is an important subtractive manufacturing technique. Femtosecond (10-15 s) laser pulses can result in superior quality of e.g.
  Next generation sampling of organic molecules
  Dr L Bartok-Partay
Applications accepted all year round

Funding Type

PhD Type

Models of simple flexible organic molecules, such as methane or carbon dioxide, have surprisingly rich phase diagrams showing numerous (and sometimes spurious) stable and metastable crystal structures.
  Uncertainty in phase diagram simulations with interatomic potentials
  Dr J Kermode
Applications accepted all year round

Funding Type

PhD Type

Atomistic simulations with interatomic potentials are very widely used throughout computational chemistry, physics and materials science.
  Fully-funded PhD positions in several natural sciences & engineering disciplines

Funding Type

PhD Type

Join an internationally renowned scientific community with the Hector FellowPhD program. PhD students benefit not only from the experience of the program, but also from the network of Hector Fellows.
  Fractal structures in multidimensional chemical reaction dynamics
  Dr T Bartsch
Application Deadline: 31 March 2020

Funding Type

PhD Type

In many chemical reactions the reaction rate is determined by the crossing of an energy barrier. In order to predict whether a reaction will occur, one must understand the dynamics of the crossing in as much detail as possible.
  It’s all in the Structure: Transforming drug design by bringing together molecular simulations and machine learning
  Dr G.C. Sosso
Applications accepted all year round

Funding Type

PhD Type

The solubility of pharmaceutical drugs determines to what extent they can be absorbed. Machine learning algorithms can predict the solubility of novel drugs without the need of actually synthetizing them - thus saving substantial time and money.
  Computer Simulations of G protein-coupled Receptors
  Dr I Tikhonova
Applications accepted all year round

Funding Type

PhD Type

Many physiological processes are controlled through the activation of G protein-coupled receptors (GPCRs) by regulatory peptides, making peptide GPCRs particularly useful targets for major human diseases such as diabetes and CNS diseases.
  Self-organisation as a theory of brain development
  Dr SP Wilson, Dr JV Stone
Applications accepted all year round

Funding Type

PhD Type

Self-organisation is a general theory of how function is assigned to cortical microcircuits. The theory predicts that a balance between cooperative and competitive interactions in local cortical circuits, consolidated by Hebbian learning, results in similar inputs being represented by nearby neurons.
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