PhD Positions in Application of Machine Learning Algorithms to Molecular Modeling


We are currently inviting applications for PhD positions in Application of Machine Learning Algorithms to Molecular Modeling, starting in November 2017.

Successful candidates will be expected to participate in the project of the development of machine learning algorithms for molecular modeling. The developed algorithms will be applied, together with our Russian and international collaborators, to computational materials discovery, investigation and development of alloys, organic and inorganic semiconductors, etc. See details of our projects here.


  • Successful candidates are expected to have a Masters (or Specialist or an equivalent) degree in a relevant area.
  • Strong background in either machine learning or computational mathematics.
  • Knowledge of physics, chemistry, or materials research is a plus.
  • Experience with C/C++, Matlab, Python, LaTeX, parallel programming.
  • The candidates should have at least an upper-intermediate level of the English language.


Application Procedure

Prior to submitting an application, students are advised to contact Prof. Alexander Shapeev (

Please submit a PhD application including:

  • a motivation letter (statement of purpose),
  • a CV, with the publications list (if any),
  • 3 letters of recommendation (submitted online or emailed to,
  • optional: research statement (as a link to a document published online or by emailing it to,
  • optional: reprints of selected publications (as a link to a published document or by emailing it to, and
  • proof of proficiency in English, i.e. TOEFL or IELTS (students may submit an application without this information, but all will be asked to provide it at a later date)

through Skoltech Admissions for Doctoral Programs, selecting “PhD” as the degree level, identifying Alexander Shapeev as the prospective supervisor, and choosing “CDISE” from the list of centers.

All documents should be submitted in English (the exceptions are diplomas in Russian and publications in Russian).


Further information

Information about Skoltech:

Information about CDISE:

Queries regarding research interests: Prof. Alexander Shapeev (

Queries regarding application process:


Skoltech is committed to diversity and opportunity, and application materials will be considered without regard to the gender, race, or nationality of the applicant.