53 citations · 170 across the 16 of their papers we have counts for
16 papers
Density-functional theory calculation of hydrogen solubility in cubic silicon carbide at finite temperatures
Jonathan S. Evarts, Anne Chaka, Towfiq Ahmed
An ab initio framework using density-functional theory has been developed to predict hydrogen solubility in both pristine and defective \b{eta}-SiC. This study is motivated by the…
Theoretical study of high harmonic generation in monolayer NbSe
Daniel A. Rehn, Towfiq Ahmed, Jinkyoung Yoo +2
High harmonic generation (HHG) is a powerful probe of electron dynamics on attosecond to femtosecond timescales and has been successfully used to detect electronic and structural c…
A real-time TDDFT study of femtosecond laser driven monolayer NbSe2
Towfiq Ahmed, Jinkyoung Yoo, Rohit Prasankumar +1
High harmonic generation (HHG) spectra have the potential to show novel signatures of ordered phases in condensed matter. We studied the femtosecond laser-driven electronic respons…
First principles investigation of nanopore sequencing using variable voltage bias on graphene-based nanoribbons
Hannah L. McFarland, Towfiq Ahmed, Jian-Xin Zhu +2
In this study, we examine the mechanism of nanopore-based DNA sequencing using a voltage bias across a graphene nanoribbon. Using density functional theory and a non-equilibrium Gr…
Combining electronic structure and many-body theory with large data-bases: a method for predicting the nature of 4f states in Ce compounds
Heike. C. Herper, Towfiq. Ahmed, John. M. Wills +5
Here we present the first large scale investigation of electronic properties and correlated magnetism in Ce-based compounds accompanied by a systematic study of the electronic stru…
Vibrational Signatures in the THz Spectrum of 1,3-DNB: A First-Principles and Experimental Study
Towfiq Ahmed, Abul K. Azad, Raja Chellappa +5
Understanding the fundamental processes of light-matter interaction is important for detection of explosives and other energetic materials, which are active in the infrared and ter…
Edge states and local electronic structure around an adsorbed impurity in a topological superconductor
Yuan-Yen Tai, Hongchul Choi, Towfiq Ahmed +2
Recently topological superconducting states has attracted a lot of interest. In this work, we consider a topo- logical superconductor with topological mirror order [1] and s$…
Proximity-induced magnetism in transition-metal substituted graphene
Charles B. Crook, Costel Constantin, Towfiq Ahmed +3
We investigate the interactions between two identical magnetic impurities substituted into a graphene superlattice. Using a first-principles approach, we calculate the electronic a…
Graphene/MoS2 van der Waals Bilayer as the Anode Material for Next Generation Li-ion Battery: A First-Principles Investigation
Towfiq Ahmed, N. A. Modine, Jian-Xin Zhu
We performed density functional theory (DFT) calculations for a bi-layered heterostructure combining a graphene layer with a MoS2 layer with and without intercalated Li atoms. Our…
Optical Properties of Organometallic Perovskite: An ab initio Study using Relativistic GW Correction and Bethe-Salpeter Equation
Towfiq Ahmed, C. La-O-Vorakiat, T. Salim +3
In the development of highly efficient photovoltaic cells, solid perovskite systems have demonstrated unprecedented promise, with the figure of merit exceeding nineteen percent of…
Synthetic magnetoelectric coupling in a nanocomposite multiferroic
P. Jain, Q. Wang, M. Roldan +9
Given the paucity of single phase multiferroic materials (with large ferromagnetic moment), composite systems seem an attractive solution in the quest to realize magnetoelectric co…
Next Generation Epigenetic Detection Technique:Identifying Methylated DNA using Graphene Nanopore
Towfiq Ahmed, Jason T. Haraldsen, Jian-Xin Zhu +1
DNA methylation plays a pivotal role in the genetic evolution of both embryonic and adult cells. For adult somatic cells, location and dynamics of methylation has been very precise…
Correlation Dynamics and Enhanced Signals for Serial DNA Sequencing
Towfiq Ahmed, Jason T. Haraldsen, John J. Rehr +3
Nanopore based sequencing has demonstrated significant potential for the development of fast, accurate, and cost-efficient fingerprinting techniques for next generation molecular d…
GW quasiparticle calculations with spin-orbit coupling for the light actinides
Towfiq Ahmed, R. C. Albers, A. V. Balatsky +2
We report on the importance of GW self-energy corrections for the electronic structure of light actinides in the weak-to-intermediate coupling regime. Our study is based on calcula…
GW+U real-space Green's function calculations of x-ray spectra
Towfiq Ahmed, J. J. Kas, J. J. Rehr
The Hubbard model is implemented in real-space Green's function calculations of x-ray spectra using an effective self-energy adapted from the LSDA+U method of Anisimov et al. This…
X-ray absorption near-edge spectra of overdoped La_2-xSr_xCuO_4 high-T_c superconductors
Towfiq Ahmed, Tanmoy Das, J. J. Kas +6
We present results for realistic modeling of the x-ray absorption near edge structure (XANES) of the overdoped high-T_c superconductor La_2-xSr_xCuO_4 in the hole doping range x =…