Chemistry Intern - MLFF Distillation & GCMC Integration
CuspAI · AI/ML/Data
- Location
- London, UK · Cambridge, UK
- Metro
- London, Cambridge (UK)
- Workplace
- Hybrid
- Level
- Intern
- Type
- Internship
- Posted
- 3 months ago
- Source
- Simplify internships list
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What the posting covers
About CuspAI
CuspAI is the frontier AI company on a mission to solve the breakthrough materials needed to power human progress. While nature took billions of years to perfect molecules, we are harnessing AI to unlock trillion-dollar materials breakthroughs in months, not…
The Role
We are seeking an intern for a 3-month internship to develop fast, accurate machine learning force fields (MLFFs) tailored to high-throughput Monte Carlo simulation, and integrate them into our in-house simulation framework, kUPS. You will be embedded in our…
Your Impact
You will deliver one of the foundational capabilities our simulation stack needs to evaluate the next generation of MOFs: an MLFF that is both accurate enough to replace classical force fields for guest–host interactions and fast enough to run inside the…
Models
Distill MLFFs into fast student potentials optimised for Monte Carlo simulations. Curate, version, and document training and validation datasets, including the distillation protocol and any active-learning loops used to close coverage gaps. Integration &…
Must Have Skills and Qualifications
Currently enrolled in (or recently completed) a PhD or Master's programme in a relevant quantitative field (Physics, Chemistry, Chemical Engineering, Computational Science, Machine Learning, or similar). Experience in adsorption modelling at the atomic scale.…
Bonus Points (But Not Critical)
Familiarity with modern MLFFs. Experience with knowledge distillation or other model compression techniques for scientific ML. Experience with active learning workflows for atomistic data. Familiarity with DFT data generation and the practicalities of…
What We Offer
A competitive salary: We value and reward impact and growth Equity in CuspAI: You have a stake in the success of the company Time off to stay fresh: 28 days holiday (DE, NL, UK) or 21 days holiday (JP, SG, US), in addition to local public holidays ‘Gold…
What We Offer
We actively encourage applications from all backgrounds and value the unique perspectives and contributions that diversity brings to our team. Please let us know if you require any specific adjustments during or after the interview process. We will do…
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