Postdocs

Jonas Feldt

Jonas Feldt Jonas Feldt, Dr. rer. nat.
University of Twente
Faculty of Science and Technology

Carre building, CR 4033
P.O. Box 217
7500 AE Enschede
The Netherlands

Phone: +31-53-489-5444
E-mail: j.feldt@utwente.nl

Education

Mar 2014 - May 2018 Ph.D. in Chemistry, Georg-August-Universität Göttingen, Germany
Hybrid Simulation Methods for Systems in Condensed Phase (PMC Repository)
Supervisor: Prof. Ricardo A. Mata
Oct 2011 - Mar 2014 Master of Science in Chemistry, Georg-August-Universität Göttingen,
Development of a perturbative QM/MM Monte Carlo method for the study of molecules in solution
Supervisor: Prof. Dr. Ricardo A. Mata
Oct 2011 - Mar 2014 Bachelor of Science in Chemistry, Georg-August-Universität Göttingen,
Study of Ion-Amino Acid Interactions through the Use of Local Correlation Methods
Supervisor: Prof. Dr. Ricardo A. Mata

Publications

  1. F. de Jong, M. Feldt, J. Feldt, and J. N. Harvey
    Modelling absorption and emission of a meso-aniline-BODIPY based dye with molecular mechanics
    Phys. Chem. Chem. Phys. 20, 14537-14544 (2018). DOI: 10.1039/C8CP01877D
  2. J. Feldt, S. Miranda, F. Pratas, N. Roma, P. Tomás, and R. A. Mata
    Optimization and benchmarking of a perturbative Metropolis Monte Carlo Quantum Mechanics/Molecular Mechanics program
    J. Chem. Phys. 147, 244105 (2017). DOI: 10.1063/1.5009820
  3. S. Miranda, J. Feldt, R. A. Mata, N. Roma, and P. Tomás
    Efficient parallelization of perturbative Monte Carlo QM/MM simulations in heterogeneous platforms
    J. High Perform. Comput. Appl. 31, 499-516 (2016). DOI: 10.1177/1094342016649420
  4. J. C. A. Oliveira, J. Feldt, N. Galamba, and R. A. Mata
    Study of Specific Ion-Amino Acid Interactions through the Use of Local Correlation Methods
    J. Phys. Chem. A 116, 5464-5471 (2012). DOI: 10.1021/jp301516b
  5. J. Feldt, R. A. Mata, and J. M. Dieterich
    Atomdroid: A Computational Chemistry Tool for Mobile Platforms
    J. Chem. Inf. Model. 52, 1072-1078 (2012). DOI: 10.1021/ci2004219

Talks

  • Perturbative Metropolis Monte Carlo Simulations - a Hybrid QM/MM Approach
    Coding Solvation Workshop
    August 23-25 2017, Livorno, Italy
  • Perturbative QM/MM Monte Carlo - Absolute Free Energies of Solvation
    31st Winter School in Theoretical Chemistry 2015
    December 14-17 2015, Helsinki, Finland