34 citations · 100 across the 11 of their papers we have counts for
11 papers
Density Functional Tight-Binding Enables Tractable Studies of Quantum Plasmonics
Nikhil S. Chellam, Subhajyoti Chaudhuri, Abhisek Ghosal +2
Routine investigations of plasmonic phenomena at the quantum level present a formidable computational challenge due to the large system sizes and ultrafast timescales involved. Thi…
Manipulating Two-Photon Absorption of Molecules through Efficient Optimization of Entangled Light
Sajal Kumar Giri, George C. Schatz
We report how the unique temporal and spectral features of pulsed entangled photons from a parametric downconversion source can be utilized for manipulating electronic excitations…
Laser Pulse Induced Second- and Third-Harmonic Generation of Gold Nanorods with Real-Time Time-Dependent Density Functional Tight Binding (RT-TDDFTB) Method
Sajal Kumar Giri, George C. Schatz
In this study, we investigate second- and third-harmonic generation processes in Au nanorod systems using the real-time time-dependent density functional tight binding method. Our…
Plasmon Enhanced Spectroscopy and Photocatalysis
Sajal Kumar Giri, George C. Schatz
This study examines the Raman scattering and charge transfer properties of molecules adsorbed on the surface of a tetrahedral Au nanoparticle based on the time-dependent de…
Roadmap on Data-Centric Materials Science
Stefan Bauer, Peter Benner, Tristan Bereau +58
Science is and always has been based on data, but the terms "data-centric" and the "4th paradigm of" materials research indicate a radical change in how information is retrieved, h…
Photodissociation of H on Ag and Au Nanoparticles: Effect of Size, and Plasmon versus Inter-Band Transitions on Threshold Intensities for Dissociation
Sajal Kumar Giri, George C. Schatz
This paper provides new insights concerning the simulation of plasmon driven chemical reactions using real-time TDDFT based on the tight-binding electronic structure code DFTB+, wi…
Controlling thermodynamics of a quantum heat engine with modulated amplitude drivings
Sajal Kumar Giri, Himangshu Prabal Goswami
External driving of bath temperatures with a phase difference of a nonequilibrium quantum engine leads to the emergence of geometric effects on the thermodynamics. In this work, we…
Perspectives for analyzing non-linear photo ionization spectra with deep neural networks trained with synthetic Hamilton matrices
Sajal Kumar Giri, Lazaro Alonso, Ulf Saalmann +1
We have constructed deep neural networks, which can map fluctuating photo-electron spectra obtained from noisy pulses to spectra from noise-free pulses. The network is trained on s…
Nonequilibrium fluctuations of a driven quantum heat engine via machine learning
Sajal Kumar Giri, Himangshu Prabal Goswami
We propose a machine learning approach based on artificial neural network to gain faster insights on the role of geometric contributions to the nonequilibrium fluctuations of an ad…
Adiabatic passage to the continuum
Ulf Saalmann, Sajal Kumar Giri, Jan M. Rost
We demonstrate that by changing the direction of the chirp in VUV pulses one can switch between excitation and ionization with very high contrast, if the carrier frequency of the l…
Geometric phaselike effects in a quantum heat engine
Sajal Kumar Giri, Himangshu Prabal Goswami
By periodically driving the temperatures of reservoirs in quantum heat engines, geometric phase or Pancharatnam-Berry phase-like (PBp) effects in the thermodynamics can be observed…