Search
Now showing items 11-20 of 53
Wetting and Frictional Properties of Hexagonal Boron Nitride with Atomic-Scale Defects and Roughness
Two-dimensional (2D) materials such as graphene, hexagonal boron nitride (hBN), and molybdenum disulfide (MoS2) have become materials of choice for applications spanning optoelectronics, atomically thin coatings, and ...
Computational Approaches to Engineering Antibody Responses to HIV
Efforts are underway to devise interventions that would control HIV infection without the need for lifelong antiretroviral therapy. A key strategy involves the elicitation of endogenous antibodies that can neutralise diverse ...
Evaluating Nanoporous Graphene for Enhanced Evaporation-Based Separations using Molecular Dynamics Simulations
Amidst the plethora of separation processes used in chemical industries, water purification and bioethanol production are important, given their critical role in mitigating water scarcity and developing sustainable energy ...
Mathematical and data-driven modelling of viral infections: Applications to HIV/AIDS and COVID-19
Remarkable advances are being made in developing interventions for eliciting longterm remission of HIV-1 infection. The success of these interventions will obviate the need for lifelong antiretroviral therapy, the current ...
Understanding the Effect of Molecular Oxygen and Gold Substrate in the Chemistry of 2D MoS2 Growth During Chemical Vapor Deposition
Two-dimensional (2D) transition metal dichalcogenides, such as molybdenum disulfide (MoS2), are emerging candidates for varied applications, including neuromorphic computing, catalysis, gas separations, and optoelectronic ...
Mesoscale Modelling of sheared lamellar mesophases
The lamellar phase or smectic lyotropic liquid crystalline medium, which
is made up of alternating flat sheets of water and surfactant bilayers shearing
past each other in an imposed flow. Surprisingly, In practical ...
Investigation of multiscale biological phenomenon using kinetic modeling and molecular dynamics simulations
Biological systems inherently function at multiple spatial and temporal scales by integrating information across these scales. In this thesis, we are interested in investigating two classes of biological phenomena that ...
Micromechanical understanding of the macroscopic features of dense granular materials
The prevalence of granular materials in nature (soil, beach sand, rubble pile asteroids) and in several industries (cement, food grains, pharmaceutical powders) has motivated extensive research towards understanding the ...
Accurate Prediction of Enhancement Factors for Water Flow Through Boron Nitride Nanotubes
Water in nanoconfined spaces, such as nanotubes, exhibit anomalous yet intriguing behaviour compared to bulk water, a better understanding of which can enable us to realize a sustainable future. Nanotubes are atomically ...
Modeling and Experimental Studies on Nucleation & Growth of Crystals Using Super-Cooled Liquids
Crystallization of active pharmaceutical ingredients (APIs) is a critical processing step in the pharmaceutical industry. It traditionally involves supercooling mother liquor in jacketed vessels to induce crystallization ...