publications

publications by categories in reversed chronological order. generated by jekyll-scholar.

2024

  1. ichor: A Python library for computational chemistry data management and machine learning force field development
    Yulian T Manchev, Matthew J Burn, and Paul LA Popelier
    Journal of Computational Chemistry, 2024
  2. FFLUX molecular simulations driven by atomic Gaussian process regression models
    Yulian T Manchev, and Paul LA Popelier
    Journal of Computational Chemistry, 2024
  3. Modeling Many-Body Interactions in Water with Gaussian Process Regression
    Yulian T Manchev, and Paul LA Popelier
    The Journal of Physical Chemistry A, 2024

2020

  1. Can a mononuclear iron (III)-superoxo active site catalyze the decarboxylation of dodecanoic acid in UndA to produce biofuels?
    Yen-Ting Lin, Agnieszka Stańczak, Yulian Manchev, and 2 more authors
    Chemistry–A European Journal, 2020

2017

  1. Overexpressed somatic alleles are enriched in functional elements in Breast Cancer
    Paula Restrepo, Mercedeh Movassagh, Nawaf Alomran, and 8 more authors
    Scientific Reports, 2017