In the final episode of this series, we tackle the fast-growing area of Quantum Biology. To do so, we have spoken with Professor Jim Al-Khalili at the University of Surrey. Prof. Al-Khalili is a household name in the UK due to his contribution

Series 2, Episode 4: Astrochemistry

May 24th, 2019 27m 25s

In this episode we spoke with Professor Anthony Meijer at the University of Sheffield. He provided us with a very accessible introduction to astrochemistry and how theoretical chemists can help further the understanding as to which elements ca

Season 2: Episode 3 Crystal Structure Prediction

Apr 26th, 2019 25m 10s

In this episode, we spoke with Professor Graeme Day at the University of Southampton about molecular properties prediction, especially directed towards crystal structure prediction. We discuss why a stable crystal structure is important; how ma

Series 2, Episode 2: Efficient Battery Design

Mar 29th, 2019 28m 7s

This week we spoke to Professor Tom Miller at Caltech about efficient battery design as well as its considerations with regard to Green Chemistry. In the episode we discuss the following papers:https://pubs.acs.org/doi/abs/10.1021/acs.accoun

Series 2 Episode 1: Organic Reaction Mechanisms

Mar 1st, 2019 18m 23s

In this episode, we discuss how computational chemistry can be used to solve problems in organic chemistry and biological systems.We spoke to Prof. Fernanda Duarte at The University of Oxford about her work in computational organic chemistry.

The Return of Theoretical Chemistry

Dec 14th, 2018 2m 13s

Theoretically Speaking is back for a second series, and has some new hosts! Have a listen to find out more about what we'll be covering in this series.Credits:- Support: TMCS, EPSRC- Theme music: from "Earnest's Understanding" © 2017 Charle

Quantum Computing

Mar 14th, 2018 21m 29s

Quantum computation could hold the key to being able to simulate matter exactly. This week we have an extended interview with Professor Alán Aspuru-Guzik, from Harvard University, to find out what a quantum computer is, how it works and how it

Density Functional Theory

Mar 7th, 2018 19m 56s

Density functional theory is one of the most widely used yet contentious issues in science, and yet many people will never even have heard about it. We discuss its origins, successes and controversies and talk to Professor Fred Manby, from the

Molecular Simulation and DNA Origami

Feb 28th, 2018 19m 29s

Molecular dynamics and Monte Carlo are two hugely important methods in computer simulation of molecules. We discuss the theory and interview Professor Jon Doye, from the University of Oxford, on how he uses these techniques to model DNA.Links

Informatics

Feb 21st, 2018 20m 8s

Informatics is a whole new approach to solving chemical problems. We talk big data, machine learning and dogs.We review a chemistry machine learning competition and talk to Professor Jeremy Frey, from the University of Southampton, about e-sc

Reaction Dynamics and Virtual Reality

Feb 14th, 2018 22m 8s

The picture we have in our heads about how reactions proceed is often extremely simplified - we discuss how theoreticians can accurately model reaction dynamics and capture quantum effects. We also have a chat with Professor David Glowacki, f

Simulating Biomolecules

Feb 7th, 2018 19m 21s

How can we simulate the chemistry of very large biological structures such as enzymes, proteins and cell membranes? We discuss a recent paper on modelling enzyme-catalysed reactions, and talk with Professor Syma Khalid from the University of

What is theoretical chemistry?

Dec 15th, 2017 1m 37s

We have been writing and recording for this new podcast series, opening up the little-known world of theoretical chemistry. Here's a taster of what's to come!

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