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Read more at: Materials Modelling Seminars

Materials Modelling Seminars

Materials Modelling Seminars are typically held in Goldsmiths 1 (0_017), on the ground floor of the Department of Materials Science and Metallurgy, University of Cambridge. See here for directions to the department, and click on the talks below for more information. Upcoming Seminars: Past Seminars...

Read more at: Electronic Structure Discussion Group

Electronic Structure Discussion Group

The Materials Theory Group are core participants in the University-wide Electronic Structure Discussion Group. These meetings are intended to promote the exchange of ideas between scientists who develop or use techniques such as density functional theory, quantum Monte Carlo, or quantum chemistry...

Read more at: MSM-AIMR Joint Online Workshop 2020

MSM-AIMR Joint Online Workshop 2020

In the week of 24-28 August 2020, we will be hosting a Joint Online Workshop, bringing together researchers from Materials Science and Metallurgy in Cambridge and the Advanced Institute for Materials Research in Japan for a series of seminars.

Read more at: Total Energy and Force Methods 2018 Workshop

Total Energy and Force Methods 2018 Workshop

Total Energy and Force Methods 2018 Workshop 9 th January 2018 – 11 th January 2018 Last Booking Date for this Event: 7 th December 2017 The workshop focuses on the most recent developments in the field of electronic structure methods from the first-principles perspective, their diverse...

Latest news

Fast and easy exploration of crystal properties using machine-learned Ephemeral Data-derived Potentials

12 January 2024

Machine learning is quickly gaining prominence in the field of computational materials science. In the Materials Theory Group, we develop so-called ‘machine learned interatomic potentials’ (MLIPs), which can describe the...

Structure and colour in nitrogen-doped lutetium hydride

19 December 2023

Superconducting materials have a wide range of applications - from efficient power transmission to the advanced electromagnetics used in MRI machines - due to their loss-free conductivity. Current practical superconductors...

Quantum-induced hydrogen hopping in high-temperature superconducting lanthanum polyhydride

14 April 2023

Figure caption : Quantum effects are essential for hydrogen to dynamically explore different configurations. On the left, we see how the hydrogen atoms cover much larger distances at all temperatures when quantum effects are...

Flat water and ice

26 September 2022

Figure Caption : Pentagonal ice – a two-dimensional form of ice predicted to form when water is squeezed between graphene sheets. Water can be found trapped in nanoscale cavities, for example in biological membranes, or in...

Congratulations Ben Shires!

2 August 2022

Ben completed his PhD viva last week, covering his work on SHEAP , and he will soon be Dr Shires. Congratulations! shires.jpg

Quicker Crystals

14 July 2022

First-principles structure prediction has enabled the computational discovery of materials with extreme, or exotic properties. For example, the dense hydrides, which following computational searches have been found to...

New carbonates uncovered

7 January 2022

A study by Joseph Nelson and Chris Pickard of the Department of Materials Science and Metallurgy, University of Cambridge and the AIMR, Tohoku University, uses structure prediction to exhaustively explore the Ti-C-O and Al-C-O ternary systems.

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