Student Theses (TSU): Recent submissions

  • Frist principles design of nanomaterials : tuning electronic, magnetic, chemical and topological properties 
    Banerjee, Rajdeep (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2019)
    Nanomaterials, or materials at nanometric dimensions, show properties that are completely different from their bulk counterparts, due to a high surface to volume ratio, and the possible appearance of quantum effects.[1] ...
  • Trace formulas of higher order 
    Chattopadhyay, Arup (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2012-09-17)
    Let A be an operator in a Hilbert space H with Dom(A) is the domain and Ran(A) is the range of the operator A. An operator A is said to be densely defined if Dom(A) is dense in H. A densely defined operator A is said to ...
  • Phase transition dynamics in fluids: equilibrium to nonequilibrium 
    Roy, Sutapa (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2013-07)
    Phenomena related to phase transitions are nontrivial, understanding of which is of fundamental importance. This thesis deals with dynamics in fluids at and around phase transitions in equilibrium as well as nonequilib ...
  • First-principles study of a few pnictide superconductors and surface states of a topological insulator 
    Mondal, Wasim Raja (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2014-09-22)
    Superconductivity is an exciting phenomenon of current flow with zero resistance. Besides the zero resistance, the superconducting material has a few exotic properties: (1) in the presence of the magnetic field from the ...
  • Exploring electronic structure of a few biomolecules and graphitic materials 
    Manna, Arun Kumar (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2014-09-22)
    Biomolecules are a class of soft-materials, which are considered to be essestial for controlling various physiological functions in all living organisms. Deoxyribonucleic acid (DNA) and Ribonucleic acid (RNA), the most ...
  • First-principles analysis of functional oxides and metal organic frameworks 
    Hegde, Vinay Ishwar (JNCASRTheoretical Sciences Unit (TSU), 2014-09-22)
    Our quality of life is increasingly dependent on the advances in technology, which is in turn often furthered (impeded) by the (lack of) advances in materials. During and immediately following the industrial revolution ...
  • Phase behaviour of supercooled liquid silicon 
    Vasisht, Vishwas V. (Jawaharlal Nehru Centre for Advanced Scientific Research, BengaluruTheoretical Sciences Unit (TSU), 2013-03)
    Silicon, the second most abundant element in the earth’s crust, is ubiquitous in the form of silica and silicates in the natural world. In the elemental form, it is an essential component of the semiconductor technology. ...
  • Disorder and proximity driven phenomena in s-wave superconductors 
    Kamar, Naushad Ahmad (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2014-09-22)
    In this thesis, we have investigated two important issues in s-wave superconductors, namely effects of disorder and the proximity to normal metal on the superconducting state. The present thesis employs the framework of ...
  • Understanding the electronic structure of organometallic sandwich complexes and graphene based nanomaterials 
    Basheer, Ershaad Ahamed (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2014-09-22)
  • Numerical investigation of pattern dynamics in complex Ginzburg-landau equation 
    Patra, Saugata (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2014-09-22)
    Interesting patterns are observed almost everywhere in nature starting from structure of a cell to that of a galaxy. In the area of pattern formation [1], an interesting fact is that similar patterns are observed in a ...
  • Structural, magnetic and electronic properties of surface alloys and interfaces : a first principles study 
    Marathe, Madhura (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2014-09-22)
    The broad aim of this thesis is to study different classes of two-dimensional (2D) materials using first-principles methods. Surfaces and 2D systems are interesting for a large number of reasons. Atoms at the surface ...
  • Electronic structure and transport behaviours in some low-dimensional systems : Quantum Many-body and ab-initio studies 
    Parida, Prakash (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2013)
    When one or more of the dimensions of solid are reduced sufficiently in size, its property departs significantly from that of the bulk state. With this type of reduction in size, many exotic phenomena emerge. The resulting ...
  • Topics in dynamics, thermodynamics and electronic structure of supercooled liquids 
    Sampangiraj, Ashwin S. (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2006)
    This is a synopsis of the thesis entitled "Topics in Dynamics, Thermodynamics and Electronic Structure of Supercooled Liquids.", delivered by Ashwin S. Sampangiraj of the Theoretical Sciences Unit, Jawaharlal Nehru Centre ...
  • Structural and vibrational consequences of reduced coordination 
    Pushpa, Raghani (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2006)
    Abstract not available
  • Geometric phases, localized orbitals and distribution of electron charge centres 
    Bhattacharjee, Joydeep (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2006)
    In this thesis, we have developed formaUsms to obtain an insightful partitioning of electron charge density of materials in terms of the localized orbital description of electrons and implemented them in a plane wave ...
  • Density functional theory study of structural and magnetic properties of low dimensional 
    Imam, Mighfar (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2012)
    This is the synopsis of the thesis entitled "Density Functional Theory Study of Structural and Magnetic Properties of Low Dimensional Systems" by Mighfar Imam. The work presented in this thesis involves the study of ...
  • Adaptation on rugged fitness landscapes 
    S., Sarada (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2012)
    We introduce some basic terms pertinent to our work and define the quantities that shall be used in later calculations. For the sake of Figure 1: Schematic representation of a rugged fitness landscape with many fitness ...
  • Mechanical Behavior of Ni-based superalloys having γ/γ’ Interface: A first-principles study 
    Kumar, Kaushlendra (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2011)
    The process of fracture of solid materials is still not fully understood in many aspects, and thus lot of research both experimentally and theoretically is carried out to address this issue. The mechanism by which most ...
  • Diagrammatic perturbation theory based investigation of the mott transition physics 
    Barman, Himadri (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2011)
    The interaction driven metal-to-insulator transition, widely known as Mott transition, is still an open problem in electronic correlation physics. In this thesis, we use quantum many-body approaches within the framework ...
  • Methods and models for the study of structure, cold denaturation and aggregation of proteins 
    Maiti, Moumita (Jawaharlal Nehru Centre for Advanced Scientific ResearchTheoretical Sciences Unit (TSU), 2012)
    Proteins are the building blocks of the living cell. They perform a wide range of functions like enzymatic catalysis, gene regulations, signal transmission etc., and form an important structural component of cells and ...

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