Computational Chemistry (language development) PhD Projects, Programmes & Scholarships

We have 22 Computational Chemistry (language development) PhD Projects, Programmes & Scholarships

PhD in Chemistry: Asymmetric catalysis using environmentally benign calcium complexes

Cardiff University Cardiff School of Chemistry

Dr Ben Ward http://www.cardiff.ac.uk/people/view/38527-ward-benjamin is looking for a PhD student to work on the research project ’Asymmetric catalysis using environmentally benign calcium complexes’. Read more

Supervisor: Dr B Ward

Year round applications PhD Research Project Self-Funded PhD Students Only

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Atomistic Simulations of Surface Chemistry underpinning the Atomic-Scale Processing of Materials for AI-driven Nanoelectronics Applications

University of Warwick Department of Chemistry

Project description. Atomic layer deposition (ALD) and atomic layer etching (ALE) are crucial technologies in semiconductor processing, especially as nanoelectronics devices become smaller and more complex. Read more

Supervisor: Dr BK Karasulu

3 May 2024 PhD Research Project Funded PhD Project (UK Students Only)

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PhD in Chemistry: Computational design of new heterogeneous catalysts to support net zero: conversion of CO2 to methanol

Cardiff University Cardiff School of Chemistry

Computational design of new heterogeneous catalysts to support net zero. conversion of CO2 to methanol . PhD Supervisor. Dr. Read more

Supervisor: Dr A Logsdail

Year round applications PhD Research Project Self-Funded PhD Students Only

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PhD in Chemistry: Developing innovative organofluorine chemistry

Cardiff University Cardiff School of Chemistry

PhD in Chemistry - Developing innovative organofluorine chemistry. Dr Matthew Tredwell is looking for a PhD student to develop innovative organofluorine chemistry. Read more

Supervisor: Dr M Tredwell

Year round applications PhD Research Project Self-Funded PhD Students Only

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Development of bespoke algorithms for autonomous optimisation in flow

University of Liverpool Department of Chemistry

A key challenge in materials science is how to efficiently and sustainably arrive at the optimal conditions for material production. Read more

Supervisor: Dr A Slater

30 June 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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PhD in Chemistry: Improving protease performance

Cardiff University Cardiff School of Chemistry

An industrially funded studentship is available in the research group of Regius Professor Graham Hutchings and Professor Stuart Taylor together with Professor Nigel Richards to work on protease enzymes. Read more

Supervisors: Prof G J Hutchings, Prof S Taylor

Year round applications PhD Research Project Funded PhD Project (UK Students Only)

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Design and engineering of peptides and proteins to create artificial metalloenzymes

Cardiff University Cardiff School of Chemistry

The Rhys lab is an exciting new lab looking to recruit new students to design and engineer peptides and proteins for new applications (rhyslab.com). Read more

Supervisor: Dr G Rhys

Year round applications PhD Research Project Self-Funded PhD Students Only

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PhD in Chemistry - Microwave assisted synthesis of doped semiconductors for photocatalytic applications

Cardiff University Cardiff School of Chemistry

Microwave assisted synthesis of doped semiconductors for photocatalytic applications. Read more

Supervisor: Dr J Edwards

Year round applications PhD Research Project Self-Funded PhD Students Only

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PhD in Chemistry: Enhancing organic room-temperature phosphorescence through supramolecular approaches

Cardiff University Cardiff School of Chemistry

Dr Yi-Lin Wu - People - Cardiff University is looking for a PhD student to work on the research project “Enhancing organic room-temperature phosphorescence through supramolecular approaches.” The project involves the design and synthesis of triplet-forming organic chromophores and the investigation of their photophysical properties induced by supramolecular interactions. Read more

Supervisor: Dr Y Wu

Year round applications PhD Research Project Self-Funded PhD Students Only

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Using Natural Language Processing and molecular simulations to build polymer databases

The University of Manchester Department of Chemistry

A fully funded PhD position in multiscale modelling of polymer composites is available in the group of Professor Carbone at the University of Manchester from October 2024. Read more

Supervisor: Dr P Carbone

Year round applications PhD Research Project Funded PhD Project (UK Students Only)

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Digital discovery of new photocatalysts for photoredox catalysis (EPSRC CDT PhD studentship in collaboration with AstraZeneca)

University of Liverpool Department of Chemistry

Photoredox catalysis has come to the forefront in organic synthesis as a powerful strategy for the activation of small molecules [1]. Read more

Supervisors: Dr JW Ward, Prof A Troisi

30 June 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Computational simulation of nanomedicine for coronary microvascular disease

Coventry University Centre for Intelligent Healthcare

This is a four year collaborative studentship which requires the candidate to spend two full years based at Coventry University (UK) and two years based at A*STAR Research Institute (Singapore). Read more

Supervisor: Dr H Liu

25 April 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Machine Learning and Molecular Modelling in Mass Spectrometry

University of Leeds Faculty of Biological Sciences

This PhD project will harness the power of computational modelling and machine learning (A.I.) to analyse data obtained by mass spectrometry experiments and predict structural characteristics of biomolecules and their interactions. Read more

Supervisors: Prof F. Sobott, Dr A Kalli, Dr H Wang

Year round applications PhD Research Project Self-Funded PhD Students Only

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Molecular Simulations and Data-driven Modelling for Polymer Nanocomposite Membranes

University of Edinburgh School of Engineering

The urgent need to mitigate climate change has led to increased focus on sustainable energy solutions. This includes the development of mixed matrix membranes (MMMs) for gas separation in net-zero applications. Read more

Supervisor: Dr ER Ricci

26 May 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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Accelerating energy landscape exploration through optimisation, approximation and parallelisation

University of Liverpool School of Electrical Engineering, Electronics and Computer Science

Many heuristic methods (random walks, probabilistic selection, genetic algorithms) for energy landscape exploration in Crystal Structure Prediction (CSP) [1] are very important material discovery tools [2]. Read more

Supervisor: Prof I Potapov

30 June 2024 PhD Research Project Funded PhD Project (Students Worldwide)

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We have 22 Computational Chemistry (language development) PhD Projects, Programmes & Scholarships

Computational Chemistry (language development) PhD Projects, Programmes & Scholarships

We have 22 Computational Chemistry (language development) PhD Projects, Programmes & Scholarships

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