Alice Allen

Dr. Alice Allen is a Project Leader at the Max Planck Institute of Polymer Research, specializing in machine learning methods for molecular simulations. She holds a PhD in Physics from the University of Cambridge and completed her undergraduate degree in Physics at Imperial College London. Allen previously worked as a research associate at the University of Cambridge and the University of Luxembourg, followed by a postdoctoral position at Los Alamos National Laboratory.

• Education:
  • BSc in Physics (Imperial College London)
  • PhD in Physics (University of Cambridge)

Her research focuses on developing machine learning models for interatomic potentials, enabling accurate and efficient simulations of reactive processes, biological molecules, and material properties. She has published extensively on topics such as permutationally invariant polynomials, data-driven force fields, and meta-learning approaches for foundation models in interatomic potential development.

Recent publications highlight her work on integrating experimental data into machine learning potentials, enhancing the transferability of empirical valence bonds, and creating meta-learning frameworks for foundational interatomic models. These studies span applications in molecular dynamics, thermodynamics, and multi-scale simulations.

• Research Themes:
  • Machine Learning for Atomistic Simulations
  • Reactive Process Modeling
  • Transferable Force Fields
  • Interpretable Models for Material Properties
  • Collaborative Meta-Learning Frameworks

Alice Allen leads the Gräter Groups at the institute, where her team advances predictive methodologies for chemical reactions and material science applications. No specific scientific awards or student advisees are mentioned in the provided text.