Browsing by Advisor "Maiti, Prabal K"
Now showing items 1-19 of 19
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Activity induced phase separation and the emergence of liquid crystal phases in chiral and achiral systems, and development of an efficient method to compute the entropy of various liquid crystal phases
The phase behaviour of shape-anisotropic particles is an emerging field of research that gives rise to various liquid crystal phases. In this thesis, we explore various equilibrium and non-equilibrium properties of ... -
Anomalous Translational And Reorientational Dynamics Of Single File Water
(2010-04-12)This thesis deals with several aspects of translational and reorientational dynamics of water molecules confined inside narrow carbon nanotubes. Water molecules confined in a non-polar, nanoscopic pore exhibit extremely ... -
Charge Transport in Molecular Systems
Understanding charge transport in molecular systems is of fundamental interest in rapidly growing field of molecular electronics as well as to understand biological signal transfer processes which are accompanied by the ... -
Dendrimer Interactions with Cell Membrane and Pore Forming Toxins
Dendrimers are hyper-branched polymeric nanoparticles with a central core molecule connected by successive dendritic branching layers. The structure controlled parameters of den-drimers such as size, shape, surface chemistry, ... -
Elasticity And Structural Phase Transitions Of Nanoscale Objects
(2015-12-14)Elastic properties of carbon nanotubes (CNT), boron nitride nanotubes (BNNT), double stranded DNA (dsDNA), paranemic-juxtapose crossover (PX-JX) DNA and dendrimer bound DNA are discussed in this thesis. Structural phase ... -
Exploring Application of Dendrimer in Energy Storage, Uranyl Extraction and Drug Delivery through Molecular Modelling
This thesis explores the potential applications of poly(amidoamine) (PAMAM) dendrimers, a class of highly branched polymers, using atomistic molecular dynamics simulations. We investigate the use of PAMAM dendrimers in ... -
Mechanical Properties and Self-Assembly of Nanostructures
(2017-12-12)This thesis is devoted to the investigation of mechanical properties and self-assembly process of materials at the nanoscale. Various nanostructured materials such as nanoparticles, nanotubes, nanowires and thin films are ... -
Mechanical Properties of Nucleic Acids in Bulk and Under Confinement and Their Interaction with Peptide
Proteins, DNA and RNA are arguably the most studied biological molecules with curiously interconnected relation that appears ubiquitous in all organisms. Almost all nucleoprotein interactions and DNA manipulation events ... -
Mechanistic Insights into Dynamics and Thermodynamics of Biomolecular Processes: Protein Unfolding and Aggregation, DNA Nanomechanics, and Drug Delivery
Biophysics has seen unprecedented progress, applying concepts from physics to study intriguing biological phenomena. Further advances in this field require fundamental understanding of various processes at the nanoscale ... -
Multiscale Modeling of Molecular Sieve Membranes
Gases permeating through nanopores experience selective adsorption with sub-diffusive dynamics. In this work we investigate how the physicochemical properties of nanoporous membranes influence adsorption dynamics of gases, ... -
Multiscale Simulation of Nucleic Acid Nanostructures
Nucleic acids, namely DNA and RNA, are arguably the most studied biological molecules. Utilizing the key properties of nucleic acids, such as their persistence lengths and Watson-Crick base-pairing complementarity, ... -
Novel and Fundamental Studies of Separation Methods Leading to Very High Degree of Separation of Molecular Mixtures and Related Studies
Separation of molecular mixtures will often require in chemistry, biology, physics and material science. Existing methods of separation can at best yield a separation factor of 10^4 . They also incur huge expenditure of ... -
Polymer Assisted Dispersion of Carbon Nanotubes (CNTs) and Structure, Electronic Properties of CNT - Polymer Composite
(2018-05-21)Carbon nanotubes possess various unique and interesting properties. They have very high thermal and electrical conductivities, high stiffness, mechanical strength, and optical properties. Due to these properties, CNTs are ... -
Proton kinetic energy anomaly, Kauzmann temperature for nanoconfined water and design of nanoscale membrane for water desalination.
Structure, dynamics and thermodynamics of water molecules con fined inside the nanopores of various geometries are of fundamental interest owing to their potential applications in various nanofluidic devices, such as ... -
Structure, Dynamics And Thermodynamics Of Confined Water Molecules
(2017-05-21)This thesis deals with several aspects of the structure and dynamics of water molecules confined in nanoscopic pores. Water molecules confined in hydrophobic nanocavities exhibit unusual structural and dynamic properties. ... -
Surface Adsorption of Dendrimers: Structure, Interactions at Graphene/Water Interface and Applications in Supercapacitors
The study of structure and dynamics of geometrically con ned polymers has been an interesting topic of research. In this thesis we speci cally studied the adsorption behavior of a hyper-branched polymer called poly(amidoamine) ... -
Thermodynamics and Statistical mechanics of loops: A Monte Carlo study
Thermodynamics and Statistical Mechanics of Multi-colored Loop models in three dimensions: A Monte-Carlo study. Soumya Kanti Ganguly Department of Physics. ABSTRACT A perfectly crystalline solid is a regular ... -
Understanding DNA-Based Nanostructures using Molecular Simulation
(2018-05-14)Deoxyribonucleic acid (DNA) is arguably the most studied and most important biological molecule. Recently, it has also been established as a potential candidate for nanoconstruction. Self-assembly of DNA molecules has ... -
Understanding Nucleic Acid Charge Transport Properties using Multiscale Modelling Techniques
Understanding charge transport in molecular systems is of fundamental interest in rapidly growing field of molecular electronics as well as to understand biological signal transfer processes which are accompanied by the ...