430 citations · 926 across the 15 of their papers we have counts for
15 papers
Characteristic THz-emissions induced by optically excited collective orbital modes
Sangeeta Rajpurohit, Christian Jooss, Simone Techert +3
We study the generation of collective orbital modes, their evolution, and the characteristic nonlinear optical response induced by them in a photoinduced orbital-ordered correlated…
Ballistic photocurrent driven by optical phonon modes in a polaronic ferroelectric
Sangeeta Rajpurohit, Tadashi Ogitsu, Liang Z. Tan
We investigate the effect of local electron-phonon coupling on nonlinear optical conductivity in an interacting ferroelectric system. Using real-time simulations, we show an enhanc…
INQ, a modern GPU-accelerated computational framework for (time-dependent) density functional theory
Xavier Andrade, Chaitanya Das Pemmaraju, Alexey Kartsev +6
We present INQ, a new implementation of density functional theory (DFT) and time-dependent DFT (TDDFT) written from scratch to work on graphical processing units (GPUs). Besides GP…
A non-perturbative study of bulk photovoltaic effect enhanced by an optically induced phase transition
Sangeeta Rajpurohit, C. Das Pemmaraju, Tadashi Ogitsu +1
Solid systems with strong correlations and interactions under light illumination have the potential for exhibiting interesting bulk photovoltaic behavior in the non-perturbative re…
Structural Motifs and Bonding in Two Families of Boron Structures Predicted at Megabar Pressures
Katerina P. Hilleke, Eva Zurek, Tadashi Ogitsu +1
The complex crystal chemistry of elemental boron has led to numerous proposed structures with distinctive motifs as well as contradictory findings. Herein, evolutionary structure s…
Benchmarking boron carbide equation of state using computation and experiment
Shuai Zhang, Michelle C. Marshall, Lin H. Yang +13
Boron carbide (BC) is of both fundamental scientific and practical interest in inertial confinement fusion (ICF) and high energy density physics experiments. We report the resu…