Save the date: 29 May 2026 | OxMLIP workshop

Oxford Machine-Learned Interatomic Potential (OxMLIP) workshop

 

Machine-learned interatomic potentials (MLIPs) are becoming increasingly central tools in computational materials research, enabling predictive atomistic simulations at scales relevant to practically relevant problems. They are now being used in a growing range of settings, for example in research on battery electrolytes, solar-cell absorbers, and electronic materials.

To help bring this activity together across Oxford's departments, we are launching OxMLIP, a new MLIP interest group within the Oxford Advanced Materials Network. The aim is to provide an internal focal point for the use of MLIPs: supporting knowledge exchange, promoting wider uptake, and helping to connect researchers who develop MLIP methods with those who would like to apply them in their own work.

As part of the launch, we are organising an initial OxMLIP workshop for researchers from across the University. The workshop has two linked aims. The morning session will introduce the field through an overview talk and presentations by early-career research fellows. The afternoon session will focus on practical demonstrations and is aimed particularly at postdoctoral researchers and DPhil students working in atomistic modelling, as well as those interested in how these methods could be used in their own research.

Date: Friday, 29 May 2026

Time: 09.30–17.00

Venue: Reuben College, Parks Road, Oxford OX1 3QP

Registration 

 

Morning session (9:30 – 12:30)

9:30 – 9:40

Dr. Yuxing Zhou

Welcome remarks

9:40 – 9:50

Prof. Nicole Grobert

Opening remarks

9:50 – 10:30

Prof. Volker Deringer

Invited talk

10:30 – 11:00

Dr. Zac Goodwin

Invited talk

11:00 – 11:30

Tea and Coffee

11:30 – 12:00

Dr. Veronika Juraskova

Invited talk

12:00 – 12:30

Dr. Sanggyu Chong

Invited talk

12:30 – 13:30

Lunch break

Afternoon session (13:30 – 17:00)

13:30 – 14:30

Natascia Fragapane

Tutorial 1: Pretrained foundation models: fine-tuning protocols

14:30 – 15:00

Yuxing Zhou

Tutorial 2: Benchmarks and validations

15:00 – 15:30

Tea and Coffee

16:00 – 16:30

Louise Rosset

Tutorial 3: Advanced modelling skills: from disordered functional materials to device-scale simulations

16:30 – 17:00

Yuxing Zhou

 

 

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