18 citations · 27 across the 5 of their papers we have counts for
5 papers
Photo-induced electronic excitations drive polymerization of carbon monoxide: A first-principles study
Rasool Ahmad, Jonathan C. Crowhurst, Stanimir A. Bonev
Under pressure, carbon monoxide (CO) transforms into a polymer that can be recovered to ambient conditions. While this transformation can occur without additional stimuli, experime…
Accelerating force calculation for dislocation dynamics simulations
Rasool Ahmad, Wei Cai
Discrete dislocation dynamics (DDD) simulations offer valuable insights into the plastic deformation and work-hardening behavior of metals by explicitly modeling the evolution of d…
Homogenizing elastic properties of large digital rock images by combining CNN with hierarchical homogenization method
Rasool Ahmad, Mingliang Liu, Michael Ortiz +2
Determining effective elastic properties of rocks from their pore-scale digital images is a key goal of digital rock physics (DRP). Direct numerical simulation (DNS) of elastic beh…
Computation of effective elastic moduli of rocks using hierarchical homogenization
Rasool Ahmad, Mingliang Liu, Michael Ortiz +2
This work focuses on computing the homogenized elastic properties of rocks from 3D micro-computed-tomography (micro-CT) scanned images. The accurate computation of homogenized prop…
Free energy calculation of crystalline solids using normalizing flow
Rasool Ahmad, Wei Cai
Taking advantage of the advances in generative deep learning, particularly normalizing flow, a framework, called Boltzmann Generator, has recently been proposed for the purpose of…