Rahul Maitra

Associate Professor

Room 325, Chemistry UG Lab. Transit Bldg.
+91 22 2576 7185
Educational Background:

Ph. D., Indian Association for the Cultivation of  Science, Kolkata

M. Sc., Integrated Ph.D., I.A.C.S. and S. N. Bose National Center for Basic Sciences, Kolkata

B. Sc., Jadavpur University, Kolkata

Professional Experience:

Post-doc., RIKEN Advanced Institute for Computational Science, Japan

Post-doc., Cornell University, USA

Post-doc.,Princeton University, USA

Assistant Professor, IIT Bombay (March 2018 - April 2022)

Associate Professor, IIT Bombay (April 2022 - )

Research Interest:

In the framework of Many-Body Quantum Chemistry, our major research focus is on development, implementation and application of novel and efficient Electronic Structure based methodologies for ground and excited state molecular energetics and properties. Key approaches for treating strongly correlated systems include:

High accuracy and rigorous Multi-Reference (MR) Coupled Cluster (CC) methods.

MR effects inclusive robust Single-Reference (SR) Perturbative and CC methods.

Analytic Gradient and Linear Response Theories (LRT) for Molecular properties

Agarawal, Valay; Roy, Samrendra; Chakraborty, Anish; Maitra, Rahul.
J. Chem. Phys. 2021, 154, 044110

Agarawal, Valay; Patra, Chayan; Maitra, Rahul
J. Chem. Phys. 2021, 155, 124115

Tribedi, Soumi; Chakraborty, Anish; Maitra, Rahul
J. Chem. Theory Comput. 2020, 16, 10, 6317–6328.

Agarawal, Valay; Chakraborty, Anish; Maitra, Rahul.
J. Chem. Phys. 2020, 153, 084113.