31 citations · 190 across the 12 of their papers we have counts for
12 papers
Complex time, shredded propagator method for large-scale GW calculations
Minjung Kim, Glenn J. Martyna, Sohrab Ismail-Beigi
The GW method is a many-body electronic structure technique capable of generating accurate quasiparticle properties for realistic systems spanning physics, chemistry, and materials…
Scalable GW software for quasiparticle properties using OpenAtom
Minjung Kim, Subhasish Mandal, Eric Mikida +7
The GW method, which can describe accurately electronic excitations, is one of the most widely used ab initio electronic structure technique and allows the physics of both molecula…
Imaginary time, shredded propagator method for large-scale GW calculations
Minjung Kim, Glenn J. Martyna, Sohrab Ismail-Beigi
The GW method is a many-body approach capable of providing quasiparticle bands for realistic systems spanning physics, chemistry, and materials science. Despite its power, GW is no…
Doping of large-pore crown graphene nanomesh
Mohamed S. Eldeeb, Mohamed M. Fadlallah, Glenn J. Martyna +1
Porous graphene structures, also termed graphene nanomeshes (GNMs), are garnering increasing interest due to their potential application to important technologies such as chemical…
Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed
Flaviu S. Cipcigan, Vlad P. Sokhan, Jason Crain +1
One key factor that limits the predictive power of molecular dynamics simulations is the accuracy and transferability of the input force field. Force fields are challenged by heter…
A Graphene-Carbon Nanotube Hybrid Material for Photovoltaic Applications
Ahmed A. Maarouf, Amal Kasry, Bhupesh Chandra +1
Large area graphene sheets grown by chemical vapor deposition can potentially be employed as a transparent electrode in photovoltaics if their sheet resistance can be significantly…
Molecular-scale remnants of the liquid-gas transition in supercritical polar fluids
V. P. Sokhan, A. Jones, F. S. Cipcigan +2
An electronically coarse-grained model for water reveals a persistent vestige of the liquid-gas transition deep into the supercritical region. A crossover in the density dependence…
Pathway to the PiezoElectronic Transduction Logic Device
P. M. Solomon, B. A. Bryce, M. A. Kuroda +18
The information age challenges computer technology to process an exponentially increasing computational load on a limited energy budget - a requirement that demands an exponential…
Anisotropic strain in SmSe and SmTe: implications for electronic transport
Marcelo A. Kuroda, Zhengping Jiang, Michael Povolotskyi +3
Mixed valence rare-earth samarium compounds SmX (X=Se,Te) have been recently proposed as candidate materials for use in high-speed, low-power digital switches driven by stress indu…
Crown Graphene Nanomeshes: Highly Stable Chelation-Doped Semiconducting Materials
Ahmed A. Maarouf, Razvan A. Nistor, Ali Afzali-Ardakani +3
Graphene nanomeshes (GNM's) formed by the creation of pore superlattices in graphene, are a possible route to graphene-based electronics due to their semiconducting properties, inc…
Ab initio Understanding of the Pseudogap in Cuprate High Temperature Superconductors via the Fluctuating Bond Model
R. A. Nistor, G. J. Martyna, D. M. Newns +2
Understanding the origin of the pseudogap is an essential step towards elucidating the pairing mechanism in the cuprate superconductors. Recently there has been strong experimental…
Giant Nonlinear Electron-lattice Interaction in Cuprate Superconductors, and Origin of the Pseudogap
R. A Nistor, G. J. Martyna, M. H. Mueser +2
The pseudogap is a key property of the cuprate superconductors, whose understanding should illuminate the pairing mechanism. Recent experimental data support a close connection bet…