Principal Investigator

Luigi Cavallo, Ph.D.

Professor of Chemical Science

Research Interests: Catalysis

Research Scientist

Bholanath Maity, Ph.D.

Research Scientist

Research Interests: Computational Catalysis, Homogeneous Catalysis, Photoredox Catalysis

Rafia Ahmad, Ph.D.

Research Scientist

Research Interests: Catalysis, Materials Simulation and Modelling, DFT

Mohit Chawla, Ph.D.

Research Scientist

Research Interests: Catalysis, RNA molecules

Research Specialist

Sadeed B. Bin Sayed, Ph.D.

Research Specialist

Research Interests: Robotics, Automation, Artificial Intelligence, Data Science

Postdoctoral Fellows

Sanchit Kumar, Ph.D.

Postdoctoral Fellow

Research Interests: Potential energy surfaces, excited states, multireference calculations

Ziyun Zhang, Ph.D.

Postdoctoral Fellow

Research Interests: Homogeneous Catalysis

Gentoku Takasao, Ph.D.

Postdoctoral Fellows

Research Interests: Machine Learning, DFT-Calculation, Materials Modelling, In-Silico, Structure Determination, Materials Informatics

Sayan Dutta, Ph.D.

Postdoctoral Fellow

Research Interests: Homogeneous Catalysis, DFT, Photocatalysis

Stefan-Adrian Nastase, Ph.D.

Postdoctoral Fellow

Research Interests: Zeolite Catalysis, Methanol to Hydrocarbons, Computational Catalysis

PhD Students

Jorge Leon Magdaleno

Ph.D. Student

Research Interests: Catalysis RNA molecules

Rawan Alshehri

Ph.D. Student

Research Interests: DFT-Calculation, Homogeneous Catalysis

Polina Tolstova

Ph.D. Student

Tiziana Ricciardelli

Ph.D. Student

Research Interests: Bioinformatics, Machine Learning

Ekaterina Toshcheva

Ph.D. Student

Research Interests: DFT, Catalysis, Materials Modelling, Simulation

Visiting Students

Hanin E bin Beshr

Visiting Research Student

Research Interests: Machine Learning, Web Applications, Cheminformatics, Structural Biology, Bioinformatics, Deep Learning

Tech. Support and Comms. Coordinator

Madhumita Sahoo Maity

Administrative Support