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theoretical chemistry PhD Projects, Programs & Scholarships

We have 70 theoretical chemistry PhD Projects, Programs & Scholarships

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  High Power Renewable Energy Nano Catalysis – Fundamental and Applied Electrochemistry
  Prof A Schechter
Applications accepted all year round

Funding Type

PhD Type

The development of a low-cost, high-performance fuel cell is hindered by the lack of an active and electrocatalysts at the anode and cathode.
  EPSRC Centre for Doctoral Training in Molecular Sciences for Medicine - 4 year PhD Studentships

Funding Type

PhD Type

Applications are invited from suitably qualified graduates for fully funded 4-year PhD studentships in the area of Molecular Sciences for Medicine (MosMed) and will focus on unmet medical needs.
  EPSRC Centre for Doctoral Training in Molecular Sciences for Medicine - 4 year PhD Studentships

Funding Type

PhD Type

Applications are invited from suitably qualified graduates for fully funded 4-year PhD studentships in the area of Molecular Sciences for Medicine (MosMed) and will focus on unmet medical needs.
  Chemosensors for atmospheric peroxyl radical investigations (CAPRI)
  Dr T J Dillon, Dr A R Rickard, Dr V Chechik
Application Deadline: 6 January 2020

Funding Type

PhD Type

Atmospheric chemistry lies at the heart of a wide range of environmental issues of substantial societal and economic impacts.
  EPSRC Centre for Doctoral Training in Theory and Modelling in Chemical Sciences - Fully funded 4-year doctoral studentships

Funding Type

PhD Type

TMCS is the UK's only Centre for Doctoral Training dedicated to computational and theoretical chemistry. In the TMCS programme, you will receive integrated, in-depth training in the core areas of.
  EPSRC Centre for Doctoral Training in Theory and Modelling in Chemical Sciences - Fully funded 4-year doctoral studentships

Funding Type

PhD Type

TMCS is the UK's only Centre for Doctoral Training dedicated to computational and theoretical chemistry. In the TMCS programme, you will receive integrated, in-depth training in the core areas of.
  Mapping the low-lying excited states of aromatic and antiaromatic ions via experiment and theory
  Dr P B Karadakov, Dr C E Dessent
Application Deadline: 8 January 2020

Funding Type

PhD Type

Background. In Hückel’s pivotal model of aromaticity, conjugated cycles with 4n+2 π electrons are energetically stable and aromatic, while those with 4n π electrons are energetically unstable and antiaromatic.
  Advanced Mathematical Optimisation in Materials Chemistry
  Dr M Dyer, Dr V Gusev
Application Deadline: 30 April 2020

Funding Type

PhD Type

Project. The global optimisation of properties such as energy as a function of atomic positions is prevalent in materials chemistry.
  Photophysics and photochemistry of “non-natural” DNA building blocks
  Dr C E Dessent
Applications accepted all year round

Funding Type

PhD Type

Over the last decade, a number of alternative nucleobase units have been developed that have allowed expansion of the genetic alphabet.1 For some of these…
  Quantum Chemistry in Phase Space
  Dr M Everitt
Applications accepted all year round

Funding Type

PhD Type

We have recently shown how to construct phase space representations (Wigner functions) of heterogeneous quantum systems that leads to a new capability in the visualization of quantum states of atoms and molecules.
  Antimatter Chemistry: reactive scattering collisions of antihydrogen atoms with hydrogen molecules
  Dr M Law, Dr W T A Harrison
Applications accepted all year round

Funding Type

PhD Type

Recently interest in antimatter research has increased as facilities such as CERN have succeeded in trapping antimatter atoms to study their properties [1].
  Machine learning in quantum chemistry - using machine learning to improve the results of quantum chemical calculations
  Dr JG Hill
Applications accepted all year round

Funding Type

PhD Type

Machine learning methods have seen a great deal of recent success in a number of technological fields, and these techniques from applied statistics and computer science are poised to change the fields of computational and theoretical quantum chemistry.
  New approaches for 13C benchtop NMR spectroscopy using parahydrogen-based hyperpolarisation
  Dr M E Halse
Application Deadline: 8 January 2020

Funding Type

PhD Type

Background. Over the last fifty years, magnetic resonance (MR) has revolutionised many areas of science with the most well-known example being the application of magnetic resonance imaging (MRI) to clinical diagnosis.
  PhD positions at the International Max Planck Research School for Chemistry and Physics of Quantum Materials

Funding Type

PhD Type

The International Max Planck Research School for Chemistry and Physics of Quantum Materials is a joint PhD programme between the Max Planck Institute for Chemical Physics of Solids, Dresden, Germany, Technische Universität Dresden and the University of St Andrews, Scotland.
  PhD positions at the International Max Planck Research School for Chemistry and Physics of Quantum Materials

Funding Type

PhD Type

The International Max Planck Research School for Chemistry and Physics of Quantum Materials is a joint PhD programme between the Max Planck Institute for Chemical Physics of Solids, Dresden, Germany, Technische Universität Dresden and the University of St Andrews, Scotland.
  PhD positions at the International Max Planck Research School for Chemistry and Physics of Quantum Materials

Funding Type

PhD Type

The International Max Planck Research School for Chemistry and Physics of Quantum Materials is a joint PhD programme between the Max Planck Institute for Chemical Physics of Solids, Dresden, Germany, Technische Universität Dresden and the University of St Andrews, Scotland.
  The contradictory functions of carotenoid-based light-harvesters: Understanding energy harvesting and dissipation in the Fucoxanthin-Chlorophyll Protein (FCP)
  Dr C Duffy
Applications accepted all year round

Funding Type

PhD Type

The School of Biological and Chemical Sciences at Queen Mary is one of the UK’s elite research centres, according to the 2014 Research Excellence Framework (REF).
  Manipulation of Geometrical Effects at the Nanoscale to Control Catalysis
  Prof M.O. Coppens
Application Deadline: 21 November 2019

Funding Type

PhD Type

VACANCY INFORMATION. The group of Professor M.-O.
  20 Funded PhD Positions in the IMPRS-CellDevoSys - Integrating Biology, Physics, Chemistry & Computer Science

Funding Type

PhD Type

A 4-year PhD Program involving 3 renowned international institutes. the Max Planck Institute of Molecular Cell Biology and Genetics, the Center for Systems Biology Dresden, and the Max Planck Institute for the Physics of Complex Systems.
  20 Funded PhD Positions in the IMPRS-CellDevoSys - Integrating Biology, Physics, Chemistry & Computer Science

Funding Type

PhD Type

A 4-year PhD Program involving 3 renowned international institutes. the Max Planck Institute of Molecular Cell Biology and Genetics, the Center for Systems Biology Dresden, and the Max Planck Institute for the Physics of Complex Systems.
  Computational Discovery of Conduction Mechanisms in Lithium-Ion Solid Electrolytes
  Dr B Morgan
Application Deadline: 24 November 2019

Funding Type

PhD Type

A fully-funded 4-year PhD studentship in theoretical / computational chemistry is available in the Department of Chemistry at the University of Bath.
  Utilising multi-colour pulses to investigate electronic and vibrational coherences in light-harvesting systems: A theoretical framework (JONESGU20SF)
  Dr G Jones, Prof S Meech
Application Deadline: 31 May 2020

Funding Type

PhD Type

Two-dimensional optical spectroscopy is a powerful technique for investigating condensed phase quantum processes in chemistry and chemical physics, including resonance energy transfer, electron transfer and solvation dynamics.
  PhD in the computational design of organic materials
  Dr Kim Jelfs
Applications accepted all year round

Funding Type

PhD Type

A 36 month PhD position in computational chemistry is available within the research group of Dr.
  Photochemical synthesis of new drug-like scaffolds
  Dr C Smith, Dr A T Russell
Applications accepted all year round

Funding Type

PhD Type

"Our laboratory is interested in the application of enabling technologies, such as continuous flow[1] and photochemistry,[2] for the synthesis of useful functional molecules such as drugs, agrochemicals and materials.
  Thermally superconducting and superinsulating nanofluids and their use in nanodevices
  Dr M N Campbell-Bannerman, Dr J Derksen
Applications accepted all year round

Funding Type

PhD Type

Nanotechnology is the forefront of a new industrial revolution. As the scale of new devices shrink, the design bottle-neck becomes getting rid of waste heat.
  Ultrafast dynamics of isolated chromophores (BULLJU20SF)
  Dr J Bull
Application Deadline: 31 May 2020

Funding Type

PhD Type

A motivated and enthusiastic student is sought for a PhD in Physical Chemistry/Chemical Physics that will apply ultrafast lasers to understand excited dynamics in molecules of biological and technological importance.
  Single-Molecule Electroluminescence: Building photon sources, one molecule at a time
  Dr A Vezzoli, Prof R Nichols
Application Deadline: 31 December 2019

Funding Type

PhD Type

The incredible feat of fabricating electrical devices made of a single molecule and measuring their charge transport characteristics is now an experimental reality, and molecular electronics has evolved into a mature field, with hundreds of publications and patents per year.
  Computation study of catalytic surface materials & reactions
  Prof H Kornweitz
Applications accepted all year round

Funding Type

PhD Type

The computational laboratory at the Department of Chemical Science at Ariel University in Israel is seeking a Ph.D. student to conduct a computational research in the area of homogeneous and heterogeneous catalysis, using small molecules and nano-particles.
  Rechargeable Lithium-Air batteries with multicomponent cathodes
  Dr A Abdelkader
Application Deadline: 8 December 2019

Funding Type

PhD Type

There is an increasing interest in lithium-air batteries as a potential energy source for powering electric vehicles due to its high theoretical energy density, which approaches that of gasoline.
  Index-near-zero-embedded optical resonators
  Dr M Ferrera
Applications accepted all year round

Funding Type

PhD Type

Optical cavities (nanoantennas, micro-ring resonators, Fabry-Perot nanocavities, etc.) immersed in an index-near-zero environment will be modelled, fabricated, and characterised.
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