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Materials Science Jobs

1 job for “Mlff Distillation & Gcmc Integration”

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CureAge Therapeutics logo

CureAge Therapeutics · 1–10 people · Seed

Senior Computational Chemist, LNP Design

  • London
  • Hybrid
  • Senior
  • Permanent · Part time

Lead the computationally guided design of a lipid nanoparticle delivery platform, applying chemical and biophysical principles to optimise LNP composition and formulation. Use AI-enabled chemistry, cheminformatics, predictive models and molecular modelling to prioritise formulation components, working closely with the experimental team and founding team in a small start-up.

Featured 3 weeks ago

CuspAI

MLFF Distillation & GCMC Integration

  • London
  • Hybrid
  • Entry level
  • Permanent

Develop fast, accurate machine learning force fields distilled into lightweight student potentials for high-throughput Monte Carlo simulation, then integrate them into the in-house kUPS framework. The role involves curating training datasets, running validation campaigns against classical force-field baselines, and profiling the MC inner loop for throughput. Embedded in the chemistry team, with a publication on MLFF-driven GCMC for MOF screening.

kUPS · MLFFs · Equivariant Models +2

4 months ago

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