Heather J. Kulik

Students17

• Allison M. Keys“The Role of CH–π Interactions in Protein-Carbohydrate Binding”2025 · Massachusetts Institute of Technology · doctoral
• Gianmarco Guin Terrones“Property prediction with machine learning and ab initio methods for iridium photoactive complexes and metal-organic frameworks”2025 · Massachusetts Institute of Technology · doctoral
• Vyshnavi Vennelakanti“Interplay of Transition Metals and Noncovalent Interactions in C–H Activation Catalysis”2024 · Massachusetts Institute of Technology · doctoral
• Haojun Jia“Revealing Structural and Spin-state Dependent Reactivity of Single Atom Catalysts (SACs) with Systematically Improvable Computational Tools”2024 · Massachusetts Institute of Technology · doctoral
• Aditya Nandy“Using Data-Driven Models to Understand Transition Metal Catalyst Energy Landscapes and Metal-Organic Framework Stability”2023 · Massachusetts Institute of Technology · doctoral
• Naveen Arunachalam“Autonomous First-Principles Design of Transition Metal Complexes”2023 · Massachusetts Institute of Technology · doctoral
• Chenru Duan“Quantum Chemistry Meets Machine Learning: Autonomous Computational Workflow for Chemical Discovery”2022 · Massachusetts Institute of Technology · doctoral
• Akash Bajaj“Improving first principles-based methods for correlated materials modeling”2022 · Massachusetts Institute of Technology · doctoral
• Daniel Harper“Computationally-Derived Design Principles for Water Oxidation Catalysts”2021 · Massachusetts Institute of Technology · master's
• Rimsha Mehmood“Computational Investigation of the Catalytic and Structural Roles of Metals in Metalloenzymes”2021 · Massachusetts Institute of Technology · doctoral
• Terry Zhi Hao Gani“Mechanistic studies and design of supported transition metal complexes”2020 · Massachusetts Institute of Technology · doctoral
• Jon Paul Janet“Multifidelity Methods for Design of Transition MetalComplexes”2020 · Massachusetts Institute of Technology · doctoral
• Mengyi Wang“Multiscale computational modeling of nanofluidic transport”2020 · Massachusetts Institute of Technology · master's
• Helena Qi“Large scale analysis of electronic effects in protein structure”2019 · Massachusetts Institute of Technology · doctoral
• Qing Zhao“First-principles approaches for accurate predictions of nanostructured materials”2019 · Massachusetts Institute of Technology · doctoral
• Efthymios Ioannis Ioannidis“Automated structure generation for first-principles transition-metal catalysis”2018 · Massachusetts Institute of Technology · doctoral
• Lisi Xie“Experimental and theoretical investigation of indium phosphide quantum dot growth mechanisms”2016 · Massachusetts Institute of Technology · doctoral