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Physical Chemistry (computational physics) PhD Projects, Programs & Scholarships

We have 49 Physical Chemistry (computational physics) PhD Projects, Programs & Scholarships

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  Attosecond physical phenomena in molecules irradiated with X-ray free-electron lasers
  Dr V Averbukh
Application Deadline: 1 March 2020

Funding Type

PhD Type

Theoretical/computational PhD studentship is available in the area of attosecond physics with free-electron X-ray lasers, in the group of Dr Vitali Averbukh within the Quantum Optics and Laser Science (QOLS) at the Department of Physics of Imperial College London.
  PhD Studentship Opportunity in Computational modelling of dynamics due to gradients in living cells, drying paints and other out-of-equilibrium liquids
  Dr R Sear
Applications accepted all year round

Funding Type

PhD Type

The Soft Matter research group of the Department of Physics of the University of Surrey has a PhD studentship for an October 2020 start.
  PhD Candidate in Computational (Electro)Catalysis
  Prof M García-Melchor
Applications accepted all year round

Funding Type

PhD Type

Applications from outstanding and highly motivated students are invited for a fully funded 4-year PhD position (€18,000 per annum + academic fees) in the Computational Catalysis and Energy Materials (CCEM) Group led by Dr.
  Physics of cutting and reshaping of cell membranes
  Dr A Saric
Applications accepted all year round

Funding Type

PhD Type

We are looking for highly motivated students to join our interdisciplinary team for an exciting project at the interface of physics, biology, and chemistry.
  Nanoscale material discovery for thermoelectric energy harvesting and cooling
  Dr H Sadeghi
Applications accepted all year round

Funding Type

PhD Type

This project aims to exploit electronic and vibrational properties of nanoscale materials that are 1000 times smaller than diameter of a human hair to discover new materials for energy harvesting and cooling in consumer electronics such as mobile phones and laptops.
  Band structure measurements in van der Waals heterostructures
  Dr N Wilson
Applications accepted all year round

Funding Type

PhD Type

Angle resolved photoemission spectroscopy (ARPES) beautifully reveals the momentum-resolved electronic structure at the surface of crystalline solids.
  Computational Discovery of Conduction Mechanisms in Lithium-Ion Solid Electrolytes
  Dr B Morgan
Application Deadline: 26 February 2020

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.
  Computational Studies of Novel Cathode Materials for Li Ion Batteries
  Dr M Dyer
Application Deadline: 30 April 2020

Funding Type

PhD Type

With the growing use of portable electronics and the environmental drive to electrification of transport, the search for lithium ion batteries with improved performance is an exciting and topical area of research.
  PhD Studentship – Predicting Skin Interactions and Permeation of Chemical Agents using Computational Modelling
  Prof J W Essex
Applications accepted all year round

Funding Type

PhD Type

Co-Supervisor. Dr Thomas J Piggot (Dstl). The skin is the outermost barrier for most of the human body. The majority of chemicals that come into contact with the body will initially do so through an interaction with the skin.
  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.
  The Structure of Metal-Organic Interfaces
  Prof D P Woodruff, Dr G COSTANTINI
Applications accepted all year round

Funding Type

PhD Type

Metal/organic interfaces (MOIs) play a crucial role in a range of practical applications. They strongly influence the performance of organic electronic devices (OEDs), but they also play an important role in a range of corrosion inhibitors and in the biocompatibility of medical implants.
  PhD Studentship Opportunity in Computational modelling of skin absorption of chemicals
  Dr T Chen, Prof G Lian
Application Deadline: 29 February 2020

Funding Type

PhD Type

Human skin is a complex organ of human body with multilayer tissues and multiple components such as sweat ducts and glands, sebaceous glands and hair follicles.
  Computational Materials Design
  Prof W Wenzel
Applications accepted all year round

Funding Type

PhD Type

We are seeking a Ph.D. student for the development of multiscale simulation methods to work in the recently funded excellence cluster at KIT.
  Next generation solid-state sodium electrolytes for battery and sensor applications
  Prof P S Salmon, Dr A Zeidler
Applications accepted all year round

Funding Type

PhD Type

This PhD project is on the development of sodium-based solid-state electrolytes for re-chargeable battery and sensor applications.
  Unlocking accurate macroscopic predictions: expanding the boundaries of developing atomic interaction models
  Dr L Bartok-Partay
Application Deadline: 31 March 2020

Funding Type

PhD Type

A PhD studentship is available in the research group of Livia Bartok-Partay, with anticipated start date in October 2020.
  iCASE: Formulation Behaviour at Complex Liquid-Solid Interfaces
  Research Group: Multiscale Modelling
  Dr F Siperstein, Dr A Patti
Application Deadline: 28 June 2020

Funding Type

PhD Type

A fully-funded iCASE PhD position in Formulation Behaviour at Complex Liquid-Solid Interfaces is available in the Multiscale Modelling Group at the University of Manchester, working with Dr Flor Siperstein and Dr Alessandro Patti, in collaboration with Dr Breanndán Ó Conchúir from IBM Research UK.
  Computational Photochemical Dynamics of Light Driven Processes
  Dr M Paterson
Application Deadline: 28 February 2020

Funding Type

PhD Type

You will use computational and theoretical chemistry approaches to study excited state dynamics. Important photochemistry such as occurring in photodynamic anti-cancer therapies, and photovoltaic devices will be studied.
  Computational study of nonadiabatic and quantum tunnelling effects in reactive hydrogen chemistry on metals
  Dr R J Maurer, Dr S Habershon
Application Deadline: 31 March 2020

Funding Type

PhD Type

A Ph.D studentship is available with the earliest possible start date in March 2020 and the latest start date in October 2020.
  Predicting drug solubility in different solvents using molecular simulation and machine learning
  Dr M Jorge, Dr C Price
Applications accepted all year round

Funding Type

PhD Type

Predicting the solubility of complex drug-like molecules is crucial at several stages of the drug discovery and manufacture. In particular, solvent selection has been highlighted as a crucial step in process design and optimisation [1].
  Modelling the self-organisation of metal-organic molecular networks on active substrates.
  Prof N Caffrey
Applications accepted all year round

Funding Type

PhD Type

The goal of this project is to computationally design atomically-thin ‘smart surfaces’ which can change their form or function in response to external stimuli.
  Understanding and controlling polymorphism in molecular solids
  Prof P Popelier, Dr J Skelton
Application Deadline: 29 February 2020

Funding Type

PhD Type

Understanding and controlling polymorphism, where molecules crystallise into multiple solid forms, is a major unsolved problem in structural chemistry.
  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.
  PhD in Chemistry - Metal oxides by Design
  Dr L Vilà-Nadal
Application Deadline: 8 March 2020

Funding Type

PhD Type

We seek to recruit a highly motivated and talented PhD student in the School of Chemistry at the University of Glasgow within the research group of Dr Laia Vilà-Nadal http://www.chem.gla.ac.uk/wp/lvn-group/ The successful candidate will be part of a multidisciplinary effort aimed at applying the concept of ‘materials by design’ to metal oxide chemistry synthesis.
  Crystal structure prediction based NMR crystallography
  Dr G Day
Applications accepted all year round

Funding Type

PhD Type

Project description. A fully funded 4 year PhD studentship is available in computational materials chemistry at the University of Southampton.
  Quantum simulations for the catalysts of the future
  Prof C K Skylaris
Application Deadline: 31 August 2020

Funding Type

PhD Type

Supervisor. Chris-Kriton Skylaris (90%). Co-supervisor Peter Wells (10%). Project description. Catalysis in a multibillion dollar industry, at the core of many modern environmentally friendly technologies such as fuel cells, car catalysts and production of commodity chemicals under environmentally benign conditions.
  PhD project on molecular dynamics at surfaces of 2D materials
  Prof A Shluger
Application Deadline: 30 April 2020

Funding Type

PhD Type

This 3.5 years PhD project combines theory and experiment and will take you for two years to Singapore. It starts on September 28, 2020.
  Tailored multifunctional aerospace coating developments using bottom-up in silico techniques
  Dr S Hay, Dr J Blaker
Applications accepted all year round

Funding Type

PhD Type

There are pressing requirements across aerospace vehicles to develop unified coating systems, tailored to deliver a range of targeted multi-functional properties (e.g.
  Laser photoelectron spectroscopy of bioluminescence emitters
  Prof H Fielding
Application Deadline: 28 February 2020

Funding Type

PhD Type

We have a vacancy for a PhD student to join our group working on a new EPSRC-funded project to develop a molecular-level understanding of bioluminescence for the rational design of new bioluminescence tools for multicolor, deep-tissue imaging.
  A New Paradigm for Quantum Materials Discovery: S = ½ Kagomé Magnets in the Two-Dimensional Limit
  Dr L Clark
Applications accepted all year round

Funding Type

PhD Type

We are seeking applications for a highly motivated and enthusiastic PhD candidate to join the research group of Dr Lucy Clark in the School of Chemistry at the University of Birmingham.
  Simulations of rheological properties of lubricants under operational conditions
  Prof C K Skylaris
Application Deadline: 26 February 2020

Funding Type

PhD Type

Supervisor. Chris-Kriton Skylaris. Co-supervisor Denis Kramer. Project description.
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