91福利

Dr. Livia Bartok-Partay, a member of HetSys' management and core team, and two colleagues have had their thought provoking analysis of the current participation of women in computational materials science published as an article in the journal npj computational materials.

You can read the.

You can read more about Livia's work here.

The , which focused on multiscale modelling of materials and surfaces, took place at the picturesque Langdale hotel in the Lake District. The event was attended by the research groups of James Kermode (91福利), Reinhard Maurer (91福利) and Andrew Logsdail (University of Cardiff). HetSys student attendees Lakshmi Shenoy, Iain Best and Joe Gilkes (Cohort 2), Matt Nutter, Tom Rocke and Dylan Morgan (Cohort 3) and Fraser Birks (Cohort 4) were joined by other members of the three research groups plus invited speakers Cas van der Oord (Cambridge), Michaela Matta (KCL) and Lucas Foppa (NOMAD laboratory).

Congratulations to our students who have had their research published this academic year! Read more here...

Connor AllenLink opens in a new window

Connor Allen and Albert P Bart贸k, 鈥極ptimal data generation for machine learned interatomic potentials鈥�, Learn.: Sci. Technol.3 045031 (2022),

Christopher WoodgateLink opens in a new window

Christopher D. Woodgate, Julie B. Staunton, "Short-range order and compositional phase stability in refractory high-entropy alloys via first principles theory and atomistic modelling: NbMoTa, NbMoTaW and VNbMoTaW", Phys. Rev. Mater. 7 013801 (2023),

Christopher D. Woodgate, Daniel Hedlund, L. H. Lewis, Julie B. Staunton, Interplay between magnetism and short-range order in Ni-based high-entropy alloys: CrCoNi, CrFeCoNi, and CrMnFeCoNi, arXiv:2303.00641 (2023),

Aravinthen RajkumarLink opens in a new window

Aravinthen Rajkumar, Peter Brommer and 艁ukasz Figiel, 鈥楢n extensible density-biasing approach for molecular simulations of multicomponent block copolymers鈥�, Soft Matter, 2023,19, 1569-1585,

Joe GilkesLink opens in a new window

Julia Westermayr, Joe Gilkes, Rhyan Barrett & Reinhard J. Maurer, 鈥楬igh-throughput property-driven generative design of functional organic molecules鈥�, Nature Computational Science volume 3, 139–148 (2023),

Jingbang LiuLink opens in a new window

Jingbang Liu, Chengxi Zhao, Duncan A. Lockerby, and James E. Sprittles, Thermal capillary waves on bounded nanoscale thin films, Phys. Rev. E 107, 015105 (2023),