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Talks

2023

2022

2021

2020

  • Imperial College London, Online. Quantum Alchemy, invited.

2019

  • MRS, Boston, US. Alchemical Perturbation Density Functional Theory, invited.
  • sciCORE, Basel, CH. Machine Learning the Computational Cost of Quantum Chemistry.
  • MRS, Boston, US. Quantum Machine Learning in Chemical Space.
  • SCS, Zurich, CH. Alchemical Perturbation Density Functional Theory.
  • DFT, Alicante, ES. Alchemical Perturbation Density Functional Theory.

2018

  • TYC, London, UK. Alchemical Perturbation Density Functional Theory, invited.

2017

  • STC, Basel, CH. Accelerated Hartree-Fock-Exchange Forces.
  • TYC, London, UK. Accelerating the evaluation of Hartree-Fock exchange forces in MD calculations.

2016

  • TYC, London, UK. Impact of the crystal surface on proton dynamics at the hematite/water interface.
  • CMS, Warwick, UK. Accelerated hybrid density functional molecular dynamics for the hematite/water interface.

2015

  • Euromat, Warsaw, PL. Interfaces for Water Splitting: Dynamics of Hematite/Water from Hybrid Functional Molecular Dynamics.
  • Psi-K, San Sebastian, ES. Structure and charge transfer at the hematite(001)-water interface from all-QM DFT molecular dynamics.

2013

  • DFG 1145, Halle, DE. Parametrization of a Force Field for Perfluorinated Alkanes.