Lev Gorenstein

Lev Gorenstein's Profile Photo

Senior Computational Scientist

Prior to joining Research Computing Support team in 2013, Lev carried out research in the area of computational chemistry, molecular modelling, structural biology and protein dynamics simulations. Apart from providing advanced applications support, he is actively involved in getting undergraduates engaged with HPC as a staff advisor to the Student Cluster Competition. Lev is also a big proponent of bringing HPC into the classroom with the Scholar project.


  • M.S., Chemistry and Chemical Engineering, Moscow Institute of Fine Chemical Technology - Moscow, Russia (1991).
  • M.S., Chemistry, Purdue University (2001).


  • Program Committee: International Workshop on HPC User Support Tools (HUST), held in conjunction with the Supercomputing Conference: 2020.
  • Tutorial: "Python 201: Building Better Scientific Software in Python" (Geoffrey Lentner, Lev Gorenstein, and Amiya K. Maji) in Practice and Experience in Advanced Research Computing Conference Series (PEARC 2020, 2021).
  • Primary staff advisor for the ISC16, SC16, ISC17 and SC17 student cluster competition teams.
  • Secondary staff advisor for the SC14, ISC15 and SC18 student cluster competition teams.
  • Instructor for the Student Cluster Competition club at William Henry Harrison High School (2017, 2018).
  • Avid participant and proponent of weekly RCAC Coffee Hour Consultations.
  • ITaP liaison and HPC consultant for multiple student design projects such as Purdue Hyperloop, Purdue Formula SAE, Purdue Electric Racing and Student Aerothermal Spectrometer Satellite of Illinois and Indiana (SASSI^2) teams.

Selected Publications

  • "Demystifying Python Package Installation with conda-env-mod" (Amiya K. Maji, Lev Gorenstein, and Geoffrey Lentner) in 7th Annual Workshop on HPC User Support Tools (HUST 2020), pp. 1-10. 2020. (held in conjunction with SC20)
  • "PULSAR: Deploying Network Monitoring and Intrusion Detection for the Science DMZ" (Shivam Trivedi, Lauren Featherstun, Nathan DeMien, Callum Gundlach, Sagar Narayan, Jacob Sharp, Brian Werts, Lipu Wu, Carolyn Ellis, Lev Gorenstein, Erik Gough, Alex Younts, Xiao Zhu) Proceedings of the Practice and Experience in Advanced Research Computing 2019 on Rise of the Machines (learning), (July 28 - August 01, 2019) Chicago, IL. - Best Student Paper Award in "Facilitation of Advanced Research Computing" track.
  • "Shared Research Group Storage Solution with Integrated Access Management" (Daniel T. Dietz, Lev A. Gorenstein, Gregory S. Veldman, and Kevin D. Colby) Proceedings of the Practice and Experience in Advanced Research Computing 2017 on Sustainability, Success and Impact (July 2017) New Orleans, LA.
  • "ST-analyzer: a web-based user interface for simulation trajectory analysis", Jeong JC, Jo S, Wu EL, Qi Y, Monje-Galvan V, Yeom MS, Gorenstein L, Chen F, Klauda JB, Im W, J. Comput. Chem., 35(12), 957-963 (2014).
  • "Prediction of protein relative enthalpic stability from molecular dynamics simulations of the folded and unfolded states", Dadarlat V, Gorenstein L, Post C, Biophys. J., 103(8), 1762-1773 (2012).


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