Teaching
UG Courses:
CML 101: Introduction to Chemistry (Physical Chemistry)
CML101: UG Chemistry tutorials
CMP100: Chemistry Laboratory
PG Courses:
CML521: Molecular Thermodynamics (M. Sc. core course)
CMP511: Physical Chemistry Laboratory
CML726: Cheminformatics and Molecular Modelling (M.Tech. core & Ph.D.)
CML760: Computational Quantum Chemistry (M.Sc., M.Tech., & Ph.D.)
CML801: Molecular Modelling and Simulations: Concepts and Techniques (M.Sc., M.Tech., & Ph.D.)
Teaching materials of various courses can be found in
CML101: Introduction to Chemistry [4 Credits (3-1-0)] UG first year
Basics of rate laws; Complex reactions: consecutive and parallel reactions; Temperature dependence of reaction rates; Reaction mechanisms: steady-state approximation, pre-equilibria, unimolecular reactions; Catalysis; Atomic structure: Schrödinger equation, the hydrogen atom; The chemical bond: simplest molecules H2+ and H2; Vibration of diatomics: harmonic oscillator and Morse potential, Stability of organometallic compounds; Metal carbonyls: structure and bonding; Important reactions of organometallic compounds; Homogeneous catalysis; Applications of crystal field theory; An overview of metals in biology; Functions of metalloproteins R/S-Nomenclature; Projection formulas; MO approaches for the stereochemical outcome of the reactions; Determination of reaction mechanism; Kinetic versus thermodynamic control of the reaction; Trapping of reactive intermediates; Spectroscopic methods of structure determination.
Tutorials (2023-24, Sem-I):
Chemical Kinetics
Tutorial - II Solutions I & II
Quantum Chemistry
Mid-semester question paper: Click here
Lecture notes: Click here
Supporting study materials: Click here
CML760: Computational Quantum Chemistry [3 Credits (2-0-2)] Coming soon... For M. Sc., M. Tech. & Ph. D.
Overview of quantum chemistry, variational principle and its applications, Hartree-Fock method, density functional calculations, perturbation theory, configuration interactions, multi-configurational self-consistent field (MCSCF), Quantum chemical calculations, chemical reaction pathways, excited state calculations, calculations of spectral properties, ab initio molecular dynamics simulations
Practice problems:
CML726 Cheminformatics and Molecular Modelling [3 Credits (3-0-0)] for M. Tech. & Ph. D.
Chemistry & Information technology, chemical / biochemical data collation, retrieval, analysis & interpretation, hypothesis generation & validation, development of structure activity/property relationships, artificial intelligence techniques in chemistry. Building molecules on a computer, quantum and molecular mechanics methods for geometryoptimization, Simulation methods for molecules and materials.
Practice problems:
2021 (MTech, Sem-I, July-Nov)
2022(MTech, Sem-I, July-Nov)
CML521 Molecular Thermodynamics [3 Credits (3-0-0)] for M. Sc.
Basics concepts, Review of first, second, and third laws of thermodynamics, Gibb’s free energy, Extra work, Chemical potential, Ideal and nonideal solution, Phase rule, Phase diagram, Solutions, Chemical equilibrium, Postulates of statistical thermodynamics, Ensembles, Monoatomic and polyatomic ideal gases, Molar heat capacities, Classical statistical mechanics.
IIT Delhi all courses can be found here, link.