Research
Research
Research
Research
16+ open-access research outputs.
Equivariant atomistic machine learning models have brought substantial gains in both extrapolation capability and predictive accuracy. Depending on the basis of the space, two distinct types of irredu…
Electronic absorption spectrum of beta-carotene (b-Car) is studied using quantum chemistry and quantum dynamics simulations. Vibrational normal modes were computed in optimized geometries of the elect…
S-nitrosylation, the covalent addition of NO to the thiol side chain of cysteine, is an important post-transitional modification (PTM) that can affect the function of proteins. As such, PTMs extend an…
We develop thin films of blends of polystyrene (PS) with the thermoresponsive polymer poly(N-isopropylacrylamide) (PNIPAM) (PS/PNIPAM) and its diblock copolymer polystyrene-b-poly(N-isopropylacrylamid…
The nature of the low-lying electronic states in carotenoids has been debated for decades. We use excitation-dependent transient absorption spectroscopy and comparison with published results on \b{eta…
Liquid water exhibits anomalous behavior in the supercooled region. A popular hypothesis to explain supercooled water's anomalies is the existence of a metastable liquid-liquid transition terminating …
Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those cor…
Transient diode laser absorption spectroscopy has been used to measure three strong vibronic bands in the near infrared spectrum of the C$_2$H, ethynyl, radical not previously observed in the gas phas…
We present the Copupled Cluster (CC) method and the Density matrix Renormalization Grooup (DMRG) method in a unified way, from the perspective of recent developments in tensor product approximation. W…
Coupling of nuclear and electronic degrees of freedom mediates energy flow in molecules after optical excitation. The associated coherent dynamics in polyatomic systems, however, remain experimentally…
An alternative representation of the quasistatic nonradiative rates of Gersten and Nitzan [J. Chem. Phys. 1981, 75, 1139] and Ford and Weber [Phys. Rep. 1984, 113, 195] is derived for the respective p…
The contribution of higher-order multipoles to radiative and non-radiative decay of a single dipole emitter close to a spherical metallic nanoparticle is re-examined. Taking a Ag spherical nanoparticl…
The recent theoretical and experimental activities in positronium (Ps) scattering by atoms and molecules are reviewed with special emphasis at low energies. We critically compare the results of differ…
This research was addressed to study the effect of lipid physical state on bleaching kinetics of â-carotene. To this aim, â-carotene was added to palm oil and palm stearin and the samples were stored …
The phytochemical composition of carotenoids, tocopherols, free sugars, organic acids, L-ascorbic acid, capsaicinoids, and flavonoids in green and red paprika (GP and RP), and paprika leaves (PL) cult…
A method for the simultaneous determination of four tocopherols, four tocotrienols, four phytosterols, â-carotene and squalene by ultra high performance liquid chromatography-tandem mass spectrometry …
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