About Me

I am a final year PhD student supervised by Professor Ben Leimkuhler and Dr. Michela Ottobre and I am funded by the Maxwell Institute for Graduate Studies in Analysis and its Applications, MIGSAA. My interests are in numerical analysis for large dimensional systems and currently I am working on a variety of sampling techniques for stochastic integrators in molecular dynamics and machine learning.

Projects and Activity

These are the projects and visits that I have undertaken during my PhD

  • Feb-May 18, Duke, Jianfeng Lu and Jonathan Mattingly. This visit was funded by SAMSI.
  • Sep 17, Courant, Eric Vanden-Eijnden
  • Jan 17, Courant, Eric Vanden-Eijnden
Invited Talks
  • Computational Statistics and Molecular Simulation: A Practical Cross-Fertilization, Oaxaca November 2018
  • SAMSI Undergratuate Workshop February 2018
  • Computational Statistics Club at Chodera Lab // MSKCC
  • Mathematics CCES RWTH Aachen university
Industrial Projects
  • Jun-Aug 18, DNVGL, Machine Learning
  • Jan-Mar 17, Biovia, Materials Studio
Funding and Awards
  • 2015, Smith Institute - Take Aim winner, poster
  • 2015, 4 year full PhD funding - Maxwell Institute for Graduate Studies in Analysis and its Applications, link
  • 2014, Wellcome trust biomedical vacation scholarship, link
Conference and Workshop Participation
  • BANFF - Computational Statistics and Molecular Simulation: A Practical Cross-Fertilization Nov 2018, link
  • ATI - Data driven modelling of complex systems May 2018, link
  • SAMSI - Undergraduate Workshop February 2018, link
  • ATI - Data Study Group December 2017, link
  • ATI - Sampling algorithms for data analytics, link
  • ICMS - Joint CDT Colloquium, link
  • CIRM - Stochastic Dynamics out of Equilibrium, link
  • RWTH - Parallel Programming in Computational Engineering and Science 2017, link
  • IPAM - Workshop II: Collective Variables in Classical Mechanics, link
  • CECAM - Atomistic Monte Carlo Simulations of Bio-molecular Systems, link
  • ICMS - MCMC and particle methods: sampling, inference and stochastic approximation, link
  • MIGSAA - graduate course on stochastic pathwise integration and stochastic particle systems, link
  • ICMS - Modelling Camp 2016, link
  • ICMS - Multiscale methods for stochastic dynamical systems in biology, link


List of Publications

  • Z. Trstanova, A. Martinsson, C. Matthews, S. Jimenez, B. Leimkuhler, T. Van Delft, M. Wilkinson, Transferability of Operational Status Classification Models Among Different Wind Turbine Types (2019) to appear
  • Anton Martinsson, Jianfeng Lu, Benedict Leimkuhler and Eric Vanden-Eijnden, Simulated tempering method in the infinite switch limit with adaptive weight learning. J. Stat. Mech. (2019) 013207
  • R. Cimpeanu, A. Martinsson, M. Heil, A parameter-free perfectly matched layer formulation for the finite-element-based solution of the Helmholtz equation, J. Comput. Phys. (2015) 2015.05.006


Here is a list of some software projects that I am /have been invloved in

The Giants

These are some of the people that have let me stand on their shoulders

  • Radu Cimpeanu
  • Helen Gleeson
  • Matthias Heil
  • Gregory Herschlag
  • Ben Leimkuhler
  • Jianfeng Lu
  • Charles Matthews
  • Jonathan Mattingly
  • Michela Ottobre
  • Draga Pihler-Puzović
  • Matthias Sachs
  • Zofia Trstanova
  • Eric Vanden-Eijnden