Computational chemistry is a branch of chemical science that uses mathematical methods and physical concepts to justify and interpret the phenomena of chemistry. The main goal in this field is to obtain optimal structures, properties of physical chemistry and reactivity of chemical compounds using theoretical methods. Calculations with initial methods and methods based on experimental laboratory information. Computations in this field of science can be done with the help of computers. This field is widely used in all branches of chemistry, biochemistry and pharmacy.
Computational Methods So far, many computational methods for solving chemical problems have been developed. These methods use the laws of quantum mechanics, classical mechanics, or a combination of these to solve problems. Choosing the right method for performing calculations depends on the type and size of the structure being studied, as well as the type of information required.
Professor Amit Apte
Dynamical systems and their applications to physical problems have been the unifying themes of my research. One of the areas of great interest to me is that of data assimilation – the incorporation of noisy observations of a system into an incomplete dynamical model of that system. This problem is pertinent to a variety of applications, including weather and climate prediction.
Dr. Subhro Bhattacharjee
I am interested in quantum many-body physics. My current research focusses on :
• Magnetism (Frustrated magnets, quantum spin liquids).
• Topological phases of condensed matter.
• Physics of transition metal oxides (Interplay of spin-orbit coupling and electron correlations).
• Strongly correlated metals.
Dr. Mustafa Aidin
Our group is interested in the study of colloidal nanoscale inorganic semiconductor materials that are relevant for energy storage and transfer processes. These materials are particularly well-suited for applications that rely on the extraction of work, of one form or another, from electronically-excited states, such as photodetection, analytical sensing, solidstate lighting, photovoltaics, bio-imaging, or photocatalytic transformations, to name but a few. Semiconductor crystals that are limited to a few nanometers in scale — sometimes called “Quantum Dots” — also exhibit fascinating electro-optical properties that can be directly modulated by changing the size and/ or shape of the crystallite, allowing for precise tailoring of their physical behavior depending on the specific applications where they need to be used.
Our strategy is fundamentally interdisciplinary, and involves the development of materials synthesis and characterization methods, the use of a wide array of spectroscopic and electrochemical tools to understand the underlying physics that govern these novel materials, and the design of simple working devices to manipulate and optimize energy processes at the nanoscale.
Professor Chandan Dasgupta
My area of specialization is theoretical condensed matter physics with emphasis on statistical mechanics. Some of the problems I am working on at present are listed below.
Supercooled liquids and the glass transition: Growing static and dynamic length scales near the glass transition; finite-size scaling of dynamic susceptibilities and relaxation times in glass-forming liquids.
Professor Rukmini Dey
My research interests are in Hamiltonian systems, specially, periodic orbit bifurcation phenomena and breakup of invariant circles in nontwist systems, such as the meandering jet of the gulf stream in the Atlantic ocean, and applications of renormalization group methods in these problems.
