Back to search results

PhD Studentship: Computational Design of Molecules with Tuned Optical Absorption and Emission Properties

Loughborough University - Computer Science

Qualification Type: PhD
Location: Loughborough
Funding for: UK Students, EU Students, International Students
Funding amount: Fully Funded
Hours: Full Time, Part Time
Placed On: 8th December 2023
Closes: 29th February 2024
Reference: SCI24-FP
 

Molecules able to absorb and emit light play an important role in many modern technologies, such as light sources, displays, and sensors. A tremendous experimental effort is on its way in terms of synthesising and characterising new molecules for these tasks. This effort can be crucially supported by computation, not only by predicting the properties of individual molecules, but more importantly by developing general guiding principles for designing new molecules.

It is the goal of this project to study the interactions of molecules with light and, specifically, how we can tune band shapes and absorption / emission intensities. To do so, we will perform quantum chemistry computations to simulate spectra to high accuracy, supported by some pen-and-paper work aimed at improving our qualitative understanding. We will investigate which factors affect transition dipole moments and, therefore, the optical intensities. We will study how vibronic coupling affects band shapes and how to modulate this effectively.

The project is supervised by Dr Felix Plasser and within this post you will become part of his computational chemistry research team at Loughborough University currently comprising three PhD students and one postdoctoral researcher. You will have daily informal interactions with the other group members and at least weekly meetings with Dr Plasser. The research is closely tied with several experimental collaboration partners, e.g., at Cambridge University and Imperial College London, and you will have the chance to interact with these groups.

During the project you will learn how to run a variety of quantum chemistry computations and how to interpret the results in terms of general chemical knowledge. You will learn how to deal with large amounts of data, to automate the required tasks using scripting languages and will have the chance to acquire computer programming skills. You will learn how to communicate the results with colleagues working in experiment and theory via posters, oral presentations, and scientific publications.

The successful candidate will have a passion for science and, ideally, previous experience in computational chemistry. You will be hardworking with a drive for independent thinking and the ability to bring new perspectives into our research.We actively encourage women, disabled, Black, Asian and Minority ethnic and LGBTQ+ candidates to join our team.

We value your feedback on the quality of our adverts. If you have a comment to make about the overall quality of this advert, or its categorisation then please send us your feedback
Advert information

Type / Role:

Subject Area(s):

Location(s):

PhD tools
 

PhD Alert Created

Job Alert Created

Your PhD alert has been successfully created for this search.

Your job alert has been successfully created for this search.

Ok Ok

PhD Alert Created

Job Alert Created

Your PhD alert has been successfully created for this search.

Your job alert has been successfully created for this search.

Manage your job alerts Manage your job alerts

Account Verification Missing

In order to create multiple job alerts, you must first verify your email address to complete your account creation

Request verification email Request verification email

jobs.ac.uk Account Required

In order to create multiple alerts, you must create a jobs.ac.uk jobseeker account

Create Account Create Account

Alert Creation Failed

Unfortunately, your account is currently blocked. Please login to unblock your account.

Email Address Blocked

We received a delivery failure message when attempting to send you an email and therefore your email address has been blocked. You will not receive job alerts until your email address is unblocked. To do so, please choose from one of the two options below.

Max Alerts Reached

A maximum of 5 Job Alerts can be created against your account. Please remove an existing alert in order to create this new Job Alert

Manage your job alerts Manage your job alerts

Creation Failed

Unfortunately, your alert was not created at this time. Please try again.

Ok Ok

Create PhD Alert

Create Job Alert

When you create this PhD alert we will email you a selection of PhDs matching your criteria.When you create this job alert we will email you a selection of jobs matching your criteria. Our Terms and Conditions and Privacy Policy apply to this service. Any personal data you provide in setting up this alert is processed in accordance with our Privacy Notice

Create PhD Alert

Create Job Alert

When you create this PhD alert we will email you a selection of PhDs matching your criteria.When you create this job alert we will email you a selection of jobs matching your criteria. Our Terms and Conditions and Privacy Policy apply to this service. Any personal data you provide in setting up this alert is processed in accordance with our Privacy Notice

 
 
 
More PhDs from Loughborough University

Show all PhDs for this organisation …

More jobs like this
Join in and follow us

Browser Upgrade Recommended

jobs.ac.uk has been optimised for the latest browsers.

For the best user experience, we recommend viewing jobs.ac.uk on one of the following:

Google Chrome Firefox Microsoft Edge