The actual courses offered for a semester along with instructor's names are available on IISc course registration portal via your SAP login.

CH 201 (AUG) 3:0 - Chemical Engineering Mathematics

Linear algebraic equations, linear operators, vector and function spaces, metric and normed spaces, existence and uniqueness of solutions. Eigen values and eigen vectors/functions. Similarity transformations, Jordan forms, application to linear ODEs, Sturm-Liouville problems. PDE’s and their classification, initial and boundary value problems, separation of variables, similarity solutions. Laplace and Fourier transforms.

Linear Algebra and its Applications, Gilbert Strang, Thompson (Indian edition)

Mathematical Methods for Physicists, J. B. Arfken and H. J. Weber, Academic Press (Indian reprint)

Mathematical Methods in Chemical Engineering, S. Pushpavanam, Prentice-Hall India

Advanced Mathematical Methods for Scientists and Engineers, C. M. Bender and S. A. Orszag, McGraw-Hill/Springer-Verlag (Indian/International student edition

CH 202 (AUG) 3:0 - Numerical Methods

Basics of scientific computing, numerical errors, solution of linear algebraic equations, linear least squares, eigen values, eigen vectors, solution of nonlinear equations, optimization methods, nonlinear least squares, interpolation, numerical differentiation and integration, solution of ODEs – initial and boundary value problems, finite differences for PDEs

Chapra, S.C. and Canale, R.P., Numerical Methods for Engineers, McGraw Hill, NY, 6th edition, 2010. Gupta, S.K.

Numerical methods for Engineers, New Age Publishers, India 2009.

Beers, K.J., Numerical Methods for Chemical Engineering, Cambridge Univ. Press, Cambridge, UK 2010.

CH 203 (AUG) 3:0 - Transport Processes

Basic transport laws and transport properties; shell and differential balances; Navier-Stokes equations, equations of change for temperature and concentration in dilute systems; similarity of three transport processes; steady and unsteady transport, forced and natural convection; convective diffusion in dilute solutions; integral balances and connection to unit operations; boundary layer theory, turbulence.

Bird, R.B, Stewart, W.E. and Lightfoot, E.N., Transport Phenomena, Wiley, 1994.

Denn, M.M, Process Fluid Mechanics, Prentice Hall, 1980.

Whitaker, S., Fundamental Principles of Heat Transfer, New York, Pergamon, 1997.

CH 204 (AUG) 3:0 - Thermodynamics

Classical thermodynamics: first and second laws, Legendre transforms, properties of pure substances and mixtures, equilibrium and stability, phase rule, phase diagrams, and equations of state, Calculation of VLE and LLE, Reaction equilibria, Introduction to statistical thermodynamics.

Tester, J.W., and Modell, M., Thermodynamics and its Applications, Third Edn, Prentice Hall, 1997

Callen, H.B., Thermodynamics and an Introduction to Thermostatics, John Wiley & Sons, 1985

McQuarrie, D.A., Statistical Mechanics, University Science Books, 2000

Hill, T.L., An Introduction to Statistical Thermodynamics, Dover Publications, 1960

CH 205 (JAN) 3:0 - Chemical Reaction Engineering

The condition for reaction equilibrium; equilibrium constant and the equilibrium composition; degrees of freedom for reactive systems; rate expressions for reactions; theories for the rates of reactions; ideal and actual reactors. Mass and energy balances for an ideal batch reactor; application to the oxidation of lignin. The ideal continuous stirred tank reactor: mass and energy balances; steady state analysis; van Heerden’s graphical approach; stability of steady states; linearized stability analysis; The empty tubular reactor: cross-sectional averaged balances; parametric sensitivity and runaway behaviour; a bubble column slurry reactor for Fisher-Tropsch synthesis. The attainable region analysis for sequences of reactors. Diffusion and reaction in catalyst pellets; differential balances; flux relations; effectiveness factors; diffusional disguise of rate parameters; external resistances to heat and mass transfer. The packed bed catalytic reactor. Nonideal flow through reactors; residence time distribution; micromixing and macromixing.

Fogler, S.H., Elements of Chemical Reaction Engineering, 4th ed., Pearson Education, 2006 Schmidt, L.D., The Engineering of Chemical Reaction, Oxford, 1998

Froment G.F., Bischoff K.B., and Wilde, J.D., Chemical Reactor Analysis and Design, Wiley, 2011

CH 206 (AUG) 1:0 - Seminar Course

The course aims to help students in preparing, presenting and participating in seminars. The students will give seminars on topics chosen in consultation with the faculty.

Slides and Lecture Notes from the Instructor

CH 207 (JAN) 1:0 - Applied Statistics and Design of Experiments

Introduction to probability and statistics; conditional probability; independence; discrete and continuous random variables and distributions; sampling distributions; confidence interval; application of parameter 170 estimation and hypothesis testing: statistical inference for one sample and two samples; application of parameter estimation and hypothesis testing; statistical inference for two samples; analysis of variance; linear and non-linear regression; design of experiments; factorial experiments.

Montgomery, D.C. and Runger, G.C., Applied Statistics and Probability for Engineers, 5th ed., John Wiley & Sons, New York, NY, 2011

Montgomery, D. C., Design and Analysis of Experiments, 7th ed., John Wiley & Sons, New York, NY 2005

CH 299 32:0 - Dissertation Project

The project is aimed at training the students to analyze independently any problem posed to them. The project may be theoretical, experimental, or a combination of the two. In few cases, the project may also involve sophisticated design work. The project report is expected to show clarity of thought and expression, critical appreciation of the existing literature, and analytical, experimental or design skills.

CH 232 (JAN) 1:0 - Physics of Fluids

Classical mechanics: Lagrangian and Hamiltonian formulations, Liouville equation and BBKGY hierarchy. Kinetic theory of gases: Velocity distribution function and analysis of collisions, Boltzmann equation and Boltzmann H – Theorem, Nonequilibrium transport properties, Derivation of Navier-Stokes equations, Theory of dense gases. Stochastic processes: Brownian motion, Central limit theorem, Markov processes, Fokker Planck and Langevin equations. Linear response theory: Space-time correlation functions, Response functions, Fluctuation-dissipation theorem, Generalized hydrodynamics: Generalized Navier-Stokes equations, Green – Kubo relations.

Statistical Mechanics, D. A. McQuarrie, Harper & Row (1976).

Classical Mechanics, H. Goldstein, Narosa Publishing House, (1989).

The mathematical theory of non-uniform gases, S. Chapman and T. G. Cowling, Cambridge, (1970).

Stochastic processes in physics and chemistry, N. G. van Kampen, North-Holland, (1981).

CH 234 (JAN) 3:0 - Rheology of Complex Fluids and Particulate Materials

Introduction to complex fluids: Polymeric fluids, suspensions, pastes, dry granular materials; Flow phenomena in complex fluids shear thinning and thickening, shear bands, creep; Introduction to principles of rheology; Kinematics viscometric flows; material functions: rheometry in simple flows; Rheological models Generalized Newtonian fluid, models for viscoelasticity, plasticity and viscoplasticity; Applications to simple flow problems.

Bird, R. B., Armstrong, R. C. and Hassager, O.,

Larson, R., The Structure and Rheology of Complex Fluids, Oxford, 1999

Rao, K. K. and Nott, P. R., An Introduction to Granular Flow, Cambridge, 2008.

CH 235 (AUG) 3:0 - Modeling in Chemical Engineering

Model development principles; classification of models; modeling of complex situations of interest to chemical engineers through lumped parameter models, continuum models, population balance models, stochastic models, Monte Carlo methods, network models, percolation concepts, and fractal analysis of complex geometries.

Lecture notes provided by instructor.

CH 236 (JAN) 3:0 - Statistical Thermodynamics

Macroscopic and microscopic descriptions of the state of a system.Ensembles, the partition function and thermodynamic properties; System of independent particles; Fluctuations andthe compressibility equation; Chemical equilibrium in ideal gas mixtures; Lattice statistics; Real gases; The liquid state: lattice models,distribution functions theories, perturbation theories; Liquid mixtures: solution theories and local composition models

Vincenti and Kruger, Introduction to Physical Gas Dynamics, Wiley 1966.

Hansen, J.B., and McDonald, I.R., Theory of Simple Liquids, Academic, 1990.

McQuarrie, D.A., Statistical Mechanics, Viva Books, 2003.

CH 242 (AUG) 3:0 - Special Topics in Theoretical Biology

Motivation for theoretical studies of biological phenomena; reaction-diffusion systems; biological oscillations and chaotic systems; bacterial chemotaxis; interacting population dynamics; within-host dynamics of viral infections; virus-cell interactions; host immune response; drug pharmacokinetics and therapy; disease epidemiology; HIV and hepatitis C virus infections; tumor progression and cancer.

. D. Murray, Mathematical biology I & II, Springer (3rd edition), 2003

R. M. May and R. M. Anderson, Infectious Diseases of Humans: Transmission and Control, Oxford, 1991

M. A. Nowak and R. M. May, Virus Dynamics: Mathematical Foundations of Immunology and Virology, Oxford, 2000

CH 243 (JAN) 3:0 - Mechanics of Particle Suspensions

Forces acting on particles in a fluid-particle suspension; Flow regimes; Creeping flow: Fundamentals of Stokes flow, singularity solutions, and the fluid velocity disturbance due to an isolated particle; Inertial flow: fluid-particle and particle-particle interactions; Hydrodynamic interactions between suspended participles; Sedimentation, rheology and self-diffusion of dilute Stokesian suspensions; Dynamics of concentrated suspensions; Continuum description of suspensions using volume and ensemble averaging; Non-linear rheology and segregation; Applications to living cells and other biological systems.

Prerequisites: Post-graduate course in Fluid Mechanics

J. Happel and H. Brenner, Low Reynolds number hydrodynamics: With special applications to particulate media, Prentice-Hall, 1965 .

S. Kim and S. Karrila, Microhydrodynamics: Principles and selected applications, Dover, 2005 .

Roy Jackson, The dynamics of fluidized particles, Cambridge University Press, 2000

CH 245 (JAN) 3:0 - Interfacial and Colloidal Phenomena

Interfaces, Young-Laplace and Kelvin equations for curved interfaces; interfacial tension and contact angle, measurement techniques; wetting and spreading; intermolecular and interparticle forces, double layer repulsion, DLVO theory of colloidal stability; non-DLVO forces; surfactants; thermodynamics of self-assembly, phase diagrams; electro-kinetic phenomena, zeta potential; electrochemical systems.

Israelachvili, J., Intermolecular and Surface Forces, Academic, Press, 3rd edition, 2011.

Hunter, R. J., Foundations of Colloid Science, Vol. I, II Oxford, University Press, 1986.

Newman, John and Thomas-Alyea, K. E., Electrochemical Systems, 3rd edition, John Wiley and Sons, 2004.

Adamson, A. W. and Gast, A., Physical Chemistry of Surfaces, 6th edition, John Wiley and Sons, 1997.

Miller, C. A. and Neyogi, P., Interfacial Phenomena: Equilibrium and Dynamic Effects, Marcel Dekker, 1985.

Comprehensive lecture notes given by instructor.

CH 247 (JAN) 3:0 - Introduction to Molecular Simulations

Introduction to molecular dynamics; conservation laws; integration schemes: verlet, velocity verlet, leapfrog; constraint dynamics; extended Lagrangian dynamics; Thermostats and barostats; introduction to Monte Carlo techniques; Metropolis algorithm; NVT, NPT and GCMC simulations; estimation of pressure, chemical potential, radial distribution function, auto-correlation function, Ewald summation; umbrella sampling; Gibbs Ensemble technique; configuration bias technique.

M. P. Allen and D. J. Tildesley, Computer simulation of Liquids, Oxford University Press, New York, 1987

D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications, 2nd Ed., Academic Press, San Diego, 2002

CH 248 (JAN) 3:0 - Molecular Systems Biology

Various topics highlighting experimental techniques and modeling approaches in systems biology for problems ranging from molecular level to the multi-cellular level will be covered. Topics: Properties of biomolecules, Biomolecular Forces, Single molecule experimental techniques, Molecular motors, Molecular heterogeneity, Self-organization, Enzyme kinetics, modeling cellular reactions and processes, Fluctuations and noise in biology, Cellular variability, Biological networks, Modeling dynamics of bioprocesses and Cellular signaling.

*Course Notes:
The course is intended for Masters and PhD students. Undergraduates with sufficient background may approach the instructor regarding the course.
No prior knowledge of biology is needed but a non-biologist will have to self-educate.
Basic grasp of calculus, algebra and programming skills in C, Matlab or Mathematica is recommended.*

Philip Nelson, Biological Physics: Energy, Information, Life, W. H. Freeman, 2007, ISBN-13: 978-0716798972.

Edda Klipp, Wolfram Liebermeister, Christoph Wierling, Axel Kowald, Hans Lehrach, Ralf Herwig, Systems Biology, Wiley-Vch, 2009, ISBN: 978-3527318742.

Uri Alon, An Introduction to Systems Biology: Design Principles of Biological Circuits, Chapman & Hall/CRC Mathematical & Computational Biology, 2006, ISBN: 978-1584886426.

Comprehensive lecture notes and slides given by instructor.

CH 249 (JAN) 3:0 - Structural and Functional DNA Nanotechnology

Origin of structural DNA nanotechnology; properties of DNA and other nucleic acids relevant to nanotechnology; design of branched DNA systems; DNA nanomechanical devices; DNA origami and DNA bricks; Forces and energetics in nanoscale; Thermodynamics of self-assembly formation; Experimental techniques to characterize DNA nanostructures including AFM; SEM; TEM; single molecule and bulk fluorescence; gel electrophoresis; sequencing and radio-labelling assays; Application of DNA nanostructures in molecular computing; organizing and templating other nanomaterials; bio-sensing; nano-fabrication; cargo delivery; hybrid DNA nanomaterials.

DNA Nanotechnology: From structure to function - Chunhai Fan -Springer

Structural DNA nanotechnology by Seeman, Nadrian / Cambridge Uni. Press

Articles / lecture notes provided by the instructor

CH 251 (JAN) 3:0 - Machine Learning for Materials and Molecules

Introduction to data science and machine learning, examples of supervised/unsupervised/reinforcement learning, motivation behind modeling materials and molecules with examples from sustainable energy conversion and storage, clean water/air, and human health; introduction to Python, scientific computing packages (NumPy, SciPy, Matplotlib), and simple ML packages (Scikit-learn, RDKit, DeepChem); linear and nonlinear regression, confidence intervals and goodness of fit, loss functions, gradient descent algorithm, overfitting/underfitting, regression/classification learning; clustering, singular-value decomposition, and principal component analysis; decision trees and ensemble methods, random forests, boosting and bagging techniques, gradient-boosted machine learning, hyperparameter tuning; introduction to neural networks and deep learning; basics of data generation using molecular dynamics, Monte Carlo, and density functional theory simulations; cheminformatics, graph and featurized representations of materials, molecules, and nanopores, and their applications in materials/molecular discovery; introduction to neural network potentials; application of machine learning in predicting molecular/materials properties

Christopher M. Bishop, “Pattern Recognition and Machine Learning,” Springer

Trevor Hastie, Robert Tibshirani, and Jerome Friedman, “The Elements of Statistical Learning: Data Mining, Inference, and Prediction,” Springer

Andrew White, “Deep Learning for Molecules and Materials,” https://dmol.pub

Raghunathan Rengaswamy and Resmi Suresh, “Data Science for Engineers,” CRC Press