6 citations · 18 across the 7 of their papers we have counts for
8 papers
Exploring Model Complexity in Machine Learned Potentials for Simulated Properties
Andrew Rohskopf, James Goff, Dionysios Sema +5
Machine learning (ML) enables the development of interatomic potentials that promise the accuracy of first principles methods while retaining the low cost and parallel efficiency o…
Correlated Terahertz phonon-ion interactions control ion conduction in a solid electrolyte
Kim H. Pham, Kiarash Gordiz, Natan A. Spear +9
Ionic conduction in solids that exceeds 1 mS/cm is predicted to involve coupled phonon-ion interactions in the crystal lattice. Here, we use theory and experiment to measure the po…
Enhancement of Ion Diffusion by Targeted Phonon Excitation
Kiarash Gordiz, Sokseiha Muy, Wolfgang G. Zeier +2
Ion diffusion is important in a variety of applications, yet fundamental understanding of the diffusive process in solids is still missing, especially considering the interaction o…
Understanding Phonon Transport Properties Using Classical Molecular Dynamics Simulations
Murali Gopal Muraleedharan, Kiarash Gordiz, Andrew Rohskopf +4
Predictive modeling of the phonon/thermal transport properties of materials is vital to rational design for a diverse spectrum of engineering applications. Classical Molecular Dyna…
Modal analysis of heat transfer across crystalline Si and amorphous SiO2 interface
Kiarash Gordiz, Murali Gopal Muraleedharan, Asegun Henry
We studied the anharmonic modal contributions to heat transfer at the interface of crystalline Si and amorphous SiO2 using the recently proposed interface conductance modal analysi…
Thermal interface conductance between aluminum and aluminum oxide: A rigorous test of atomistic level theories
Murali Gopal Muraleedharan, Kiarash Gordiz, Shenghong Ju +3
We report the first ever accurate theoretical prediction of thermal conductance of any material interface. Thermal interfacial conductance of aluminum (Al)-sapphire (α-Al2O3) inter…
Phonon Optimized Potentials
Andrew Rohskopf, Hamid R. Seyf, Kiarash Gordiz +1
Molecular dynamics (MD) simulations have been extensively used to study phonons and gain insight, but direct comparisons to experimental data are often difficult, due to a lack of…
A New Formalism for Calculating Modal Contributions to Thermal Interface Conductance from Molecular Dynamics Simulations
Kiarash Gordiz, Asegun Henry
A new formalism for extracting the modal contributions to thermal interface conductance with full inclusion of anharmonicity is presented. The results indicate that when two materi…