Dr. Aniruddha Chakraborty

                                         Open positions in Dr. Chakraborty's group

Students from any discipline in Science/Engineering are encouraged to apply. In my research group all students gets training to become an independent researcher in a broad research area i.e., students aquire enough expertise to do research on areas other than their thesis work - this is one of the key reason of success of my students.

Ph.D. Positions

Master's  Thesis Work

• One Master's thesis position is for working on the Catalytic reactions on the metal-surface. In general, it is assumed that chemical reactions takes place on single potential energy surface. If more than one surface involves in the reaction process, then it becomes difficult to calculate the reaction rate. This is quite an interesting problem and arises in the calculation of the rates of catalytic reactions happening on the metal surface.

• One Master's thesis position is for working on the problem of Pi - Distortivity of Benzene. Reason for Bezene's  perfect hexagonal geometry is an interesting questions with lot of debates. Some belives that it is due to the pi-electron electron system and some other belives that it is due to the sigma electron system. Here we plan to use the effective Hamiltonian approach to  understand the origin of perfect hexagonal geometry of bengene.

• One Master's thesis position is for working on the Rate Calculation using dynamical transition state theory. The already developped effective Hamiltonians can be used to understands reaction mechanism with more details than ever before. Then by using dynamical transition state theory we will be able to analyze importance of each term of the effective spectroscopic Hamiltonian.

• One Master's thesis position is for working on the problem of Polymer translocation through a nanopore. Understanding the dynamics of polymer translocation process through a nanopore is an interesting area  for theoretical as well as experimental research. We will perform Brownian dynamics simulation studies of the translocation of single polymer chains across a nanosized pore of different geometries to see how ' shape of the kink' is effected by the pore geometry. 
  

• One Master's thesis position is for working on the problem of Thermal Diffusivity in Realistic Systems. Temperature and heat flow are two important quantities in understanding the heat conduction. When temperure distribution is not uniform at all points of a system, then heat flows in the direction of decreasing temperature. In general Fourier equation is used in understanding heat conduction, which is valid only for a  homogeneous isotropic solid. But in reality we have solids of different shapes, e.g., we can have a cylinder with nonuniform cylindricity - so this project aimed at working on these realistic systems.

• One Master's thesis position is for working on the problem of Storing Big Image in Small Space. Now the question we would be addressing here is the following, what fraction of pixel data is necessary to regenerate the whole pixel data. The pixel data set can be easily converted to a symmetric data matrix.  Instead of storing the big data matrix one may store all eigenevalues and a smaller part of the whole matrix and one can regenerate the data matrix from eigenvalues only.

• One Master's thesis position is for working on the problem of Thermal Relaxation. The Boltzmann distribution is one of the most important concepts. Often in different experimetal situations, system may not be in thermal equilibrium to start with, then the system will find the most probable state by a random search among all possible energy distributions and thus in principle, can take long time depending on the size of the system.  We plan to understand this problem using model system.

• One Master's thesis position is for working on the problem of Effective Hamiltonian for multi-state problems. Nonadiabetic transitions due to potential energy curve or surface is one of the most important mechanism to efficiently induce electronic transition in collisions. In real systems, shape of potential energy curves & nature of coupling both are not very simple in general and so the problem is not in general analytically tractable. So it would be very interesting to construct effective spectroscopic Hamiltonians from experimental or simulated spectra for curve or surface crossing problems.

• One Master's thesis position is for working on the problem of Constructing Effective Hamiltonian for clusters. Clusters are simple systems that exhibit complex behavior such as freezing or melting or even has the possibility of glassy behavior. The phenomena of internal re-arrangement and seeking minima on highly rugged potential energy surfaces of high dimensionality has been extensively investigated. The dynamical nature of large amplitude motions in these systems has yet to be explored. Here we plan to identify the essential features of the potential energy surface that has the strongest influence on dynamical behavior, so that we can construct a reduced dimensional model.

• One Master's thesis position is for working on the problem using Machine Learning aprroach for electronic relaxation problem. Electronic relaxation of a molecule in polar solvent is in general modelled by diffusion-reaction approach. The estimated survival probability is in general plotted against time and the same is compared with that obtained from experiments. Now one can train the experimental and simulated data and use the machine learning approach to predict data for unknoen systems..