Ilia Kevlishvili

Ilia Kevlishvili

Postdoctoral Associate

Massachusetts Institute of Technology

Ilia Joined the group as a postdoctoral associate in August 2021. He received his PhD at the University of Pittsburgh with Professor Peng Liu. His PhD focused on carrying out density functional theory calculations to study transition metal catalyzed reaction mechanisms and design novel catalysts. In the Kulik group, he is working on data-driven discovery of novel mechanophores as part of the MONET center.

Interests
  • mechanochemistry
  • machine learning
  • computational chemistry
Education

  • PhD in Chemistry, 2021

    University of Pittsburgh

Publications

  1. Force-Activated Spin-Crossover in Fe²⁺ and Co²⁺ Transition Metal Mechanophores (2024)
  2. Graph neural networks for predicting metal–ligand coordination of transition metal complexes (2024)
  3. High-Throughput Discovery of Ferrocene Mechanophores with Enhanced Reactivity and Network Toughening (2024)
  4. Isomer-Driven Polymerization, Depolymerization, and Reconstruction (2024)
  5. Visible light–mediated aza Paternò–Büchi reaction of acyclic oximes and alkenes to azetidines (2024)
  6. Leveraging natural language processing to curate the tmCAT, tmPHOTO, tmBIO, and tmSCO datasets of functional transition metal complexes (2024)
  7. The tension-activated carbon–carbon bond (2024)
  8. Toughening polymer networks via chemo- and regioselective junction mechanochemistry (2024)
  9. Internal Catalysis in Dynamic Hydrogels with Associative Thioester Cross-links (2024)
  10. Nested Non-covalent Interactions Expand the Functions of Supramolecular Polymer Networks (2024)
  11. A Thermally Stable SO₂ Releasing Mechanophore: Facile Activation, Single-Event Spectroscopy, and Molecular Dynamic Simulations (2024)
  12. Self-Amplified HF Release and Polymer Deconstruction Cascades Triggered by Mechanical Force (2024)
  13. Angle-strained sila-cycloalkynes (2024)
  14. Visible-Light-Mediated Macrocyclization for the Formation of Azetine-Based Dimers (2024)
  15. Large-scale Comparison of Fe and Ru Polyolefin C–H Activation Catalysts (2024)
  16. Computational Discovery of Codoped Single-Atom Catalysts for Methane-to-Methanol Conversion (2024)
  17. Classification of Hemilabile Ligands Using Machine Learning (2023)
  18. Polymer Networks with Cubic, Mixed Pd(II) and Pt(II) M₆L₁₂ Metal–Organic Cage Junctions: Synthesis and Stress Relaxation Behavior (2023)
  19. Metal Identity Effects in the Fracture Behavior of Coordinatively Crosslinked Elastomers (2023)
  20. Systematic Investigation of Silicon Substitution on Single Macromolecule Mechanics (2023)
  21. Tailoring Dynamic Hydrogels by Controlling Associative Exchange Rates (2023)
  22. Computational Discovery of Stable Metal-Organic Frameworks for Methane-to-Methanol Catalysis (2023)
  23. Synthesis and Ring-opening Metathesis Polymerization of a Strained trans-Silacycloheptene and Single Molecule Mechanics of its Polymer (2023)
  24. Remolding and Deconstruction of Industrial Thermosets via Carboxylic Acid-Catalyzed Bifunctional Silyl Ether Exchange (2023)
  25. Highly Efficient Bromine Capture and Storage Using N-containing Porous Organic Cages (2022)
  26. Endohedrally Functionalized Metal–Organic Cage-Cross-Linked Polymer Gels as Modular Heterogeneous Catalysts (2022)

Posts