Browsing by Advisor "Harbola, Upendra"
Now showing items 1-7 of 7
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Atto-second Dynamics in Molecular Systems
The thesis describes the attosecond dynamics of small molecular systems, focusing on ionization delay times and hole migration delay times. These time delays are some of the fastest events in electronic dynamics. When an ... -
Charge and Heat Transport in Low-dimensional Quantum Systems
Transport of electrons through low-dimensional quantum conductors like nano-junctions has been actively pursued research area for the last few decades. Experimental studies on nano-junctions are nowadays routinely carried ... -
Dynamics of Quantum Supercooled Liquids: A Mode Coupling Approach
In this thesis, I use the quantum mode coupling theory (QMCT) formulation to study the dynamics in a supercooled liquid to understand how quantum fluctuations affect the liquid-glass transition. I calculate the Kubo-transformed ... -
Nonequilibrium Fluctuations, Quantum Optical Responses and Thermodynamics of Molecular Junctions
(2018-02-06)Mankind has come a long way since the invention of wheel to accessing information in the quintillionth of a second. At the heart of every invention ever made, there has been only one objective, to ease the way of living. ... -
Spontaneous Light Emission from Molecular Junctions
Abstract: The study of light emission [1] from a molecular junction is recently gaining research interest. This has direct relevance to develop novel optoelectronic devices [2] and to understand light-matter interaction ... -
The Structural Chemistry of Boron, Borospherenes and Borophenes: A Computational Study
Structural complexity is one of the characteristics of boron chemistry. The 3D solids formed from icosahedral B12 units is thought of as most favorable arrangement for boron allotropes. However, recent discoveries in this ... -
Structure and dynamics of quantum supercooled liquids:Insights from molecular dynamics simulations
Supercooled liquids are formed when a liquid is cooled below the melting temperature, avoiding crystallization. The system gets trapped in one of the many metastable states in the free energy surface. In supercooled state, ...