History
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Experience
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**Postdoctoral Researcher (11/2023 – Present)**
`Fritz-Haber-Institut der Max-Planck-Gesellschaft `_, Berlin
Developed a machine learning force field methodology that integrates electronic structure information to accurately model coupled electronic and ionic charge transport, enabling large-scale molecular dynamics simulations of solid-state lithium-ion batteries. Work carried out within the `SolBat project `_.
**Postdoctoral Researcher (12/2022 – 11/2023)**
`ICAMS `_, `Ruhr Universität Bochum `_
Built a machine learning force field framework(`ACE+Q `_, based on the `Atomic Cluster Expansion `_) to capture long-range charge transfer and electrostatics; implemented in TensorFlow within the pacemaker Python package; matched the accuracy of state-of-the-art approaches.
**Scientist (12/2022 – 11/2023)**
`ACEworks GmbH `_, Bochum
Extended the PhD-developed methodology to handle multi-component (binary) materials; delivered production-ready code to `Materials Design Inc. `_.
Education
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**PhD in Physics (12/2017 – 12/2022)**
`ICAMS `_, `Ruhr Universität Bochum `_
Doctoral student as a part of the `International Max Planck Research School for Interface Controlled Materials for Energy Conversion `_ and working in the group `Atomistic Modelling and Simulation `_ . Designed and implemented a machine learning force field framework for non-collinear spin-lattice dynamics using TensorFlow (`magnetic ACE `_); integrated within the `pacemaker `_ Python package; achieved 2× accuracy improvement over prior models and enabled large-scale (4,000 atoms) simulations on the nanosecond timescale; built an ab initio magnetic structure training database comprising 70,000 entries.
**MSc in Condensed Matter Physics (10/2015 – 10/2017)**
`University of Trieste, Trieste (IT) `_
Conducted first-principles DFT simulations of CO and CO₂ adsorption on metal-organic frameworks; quantified binding energies and vibrational properties to support experimental spectroscopic data.
**BSc in Physics (10/2012 – 09/2015)**
`University of Trieste, Trieste (IT) `_
Developed a Fortran-based tight-binding framework to compute electronic band structure of 2D materials under applied magnetic fields.