Group Members


Prof. Ale Strachan

Senior researchers

Dr. Benjamin Haley

  • Cyber-enabled atomistic simulations of materials and ab initio calculations

Dr. Hojin Kim

  • Research title: large-scale atomistic simulations of MEMS

Dr. Chunyu Li

  • Research title: Atomistic simulations of polymers and polymer composites

Dr. Nicolas Onofrio

  • Atomistic simulations of electrochemical devices for nanoelectronics and energy
  • Inter-atomic potential optimization for reactive molecular dynamics (ReaxFF)

Dr. Edwin Antillon

  • Shock-energy absorption via endothermic chemistry
​Graduate Students

Kiettipong Banlusan

  • Shockwave energy absorption
  • Atomistic and mesoscale simulations
  • Nano-engineering intermolecular reactive composites
  • Shock loading of materials and chemical reactions
  • Nanoelectronics and nanoscale transport
  • Reactive simulations of nanoscale memory devices
  • Thermo-mechanical properties of polymer nanocomposites
  • ​Carbon nanotubes
  • Thermal transport at the nanoscale
  • ​Interfaces, superlattices
  • Shape Memory in Nano Engineered Materials
  • Mechanically active metamaterials
  • Uncertainty Quantification in Multi-Fidelity Simulations
  • Research Title: Design of High Emissivity Coatings for Hypersonic Applications using Plasma Spray
  • Energy transfer, localization and chemistry initiation in molecular crystals