Akash K. Ball

Akash K. Ball

Graduate Student

Massachusetts Institute of Technology

Akash obtained a Master of Technology in Chemical Engineering from the Indian Institute of Technology (IIT) Bombay. While at IIT Bombay, he worked with Prof. Abhijit Chatterjee to develop a reverse Monte Carlo (RMC) and machine learning-based framework for the accelerated calculation of configuration free energy during gas adsorption on lattice surfaces. He also contributed to studying the relaxation dynamics in RMC and developing a novel convergence criterion. Akash graduated from Jadavpur University in India in 2020 with a Bachelor of Engineering in Chemical Engineering.

Akash joined the Kulik group in November 2022 as a Ph.D. student in Chemical Engineering. In the Kulik lab, he will perform accelerated screening and design of metal-organic frameworks for gas storage and ion separation. Akash loves to paint, play badminton, and go hiking in his spare time.

Interests
  • Metal-organic frameworks
  • Gas storage and ion separation
  • Machine learning
Education
  • M.Tech in Chemical Engineering, 2022

    Indian Institute of Technology (IIT) Bombay

  • B.E in Chemical Engineering, 2020

    Jadavpur University

Publications

  1. Strong pore hydrophilicity and low confinement drive water permeability inside cage-like metal-organic frameworks (2026)
  2. Stability-Aware Multi-Objective Discovery of Metal-Organic Frameworks for Direct Air Capture (2026)
  3. molSimplify 2.0: Improved Structure Generation for Automating Discovery in Inorganic Molecular and Reticular Chemistry (2026)
  4. What makes a plausible metal-organic framework linker? Discovery from a general chemical database (2026)
  5. Caging the Chlorine Radical: Chemoselective Photocatalytic C(sp³)–H Functionalization Enabled by Terminal Cu–Cl Sites in a Metal–Organic Framework (2026)
  6. Combining chemical, geometric, and novel topological features to develop generalizable machine learning models for predicting mechanically stable MOFs (2026)
  7. Late-Stage Fluorosulfurylation using Sulfuryl Fluoride Bound within a Metal–Organic Framework (2026)
  8. Data-Driven Discovery of Water-Stable Metal–Organic Frameworks with High Water Uptake Capacity (2025)
  9. Tuning Metal-Organic Framework Linker Chemistry for Transition Metal Ion Separations (2025)
  10. Designing membranes with specific binding sites for selective ion separations (2024)