activity
20062026
most citedImplicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

3.1k citations · 6.9k across the 71 of their papers we have counts for

collaborators
Showing 2023Show all

9 papers · 1 filter

cond-mat.mtrl-sci2023

1D-confined crystallization routes for tungsten phosphides

Gangtae Jin, Christian D. Multunas, James L. Hart +9

Topological materials confined in one-dimension (1D) can transform computing technologies, such as 1D topological semimetals for nanoscale interconnects and 1D topological supercon…

physics.chem-ph2023★ 36 cited

Interfacial Hot Carrier Collection Controls Plasmonic Chemistry

Fatemeh Kiani, Alan R. Bowman, Milad Sabzehparvar +3

Harnessing non-equilibrium hot carriers from plasmonic metal nanostructures constitutes a vibrant research field. It promises to enable control of activity and selectivity of photo…

cond-mat.mtrl-sci2023★ 16 cited

Quantum-mechanical effects in photoluminescence from thin crystalline gold films

Alan R. Bowman, Álvaro Rodríguez Echarri, Fatemeh Kiani +6

Luminescence constitutes a unique source of insight into hot carrier processes in metals, including those in plasmonic nanostructures used for sensing and energy applications. Howe…

cond-mat.mtrl-sci2023

First-principles molten salt phase diagrams through thermodynamic integration

Tanooj Shah, Kamron Fazel, Jie Lian +3

Precise prediction of phase diagrams in molecular dynamics (MD) simulations is challenging due to the simultaneous need for long time scales, large length scales and accurate inter…

cond-mat.mtrl-sci2023★ 7 cited

A fully ab initio approach to inelastic atom-surface scattering

Michelle M. Kelley, Ravishankar Sundararaman, Tomás A. Arias

We introduce a fully ab initio theory for inelastic scattering of any atom from any surface exciting single phonons, and apply the theory to helium scattering from Nb(100). The key…

cond-mat.mtrl-sci2023

Improving the reliability of machine learned potentials for modeling inhomogenous liquids

Kamron Fazel, Nima Karimitari, Tanooj Shah +2

The atomic-scale response of inhomogeneous fluids at interfaces and surrounding solute particles plays a critical role in governing chemical, electrochemical and biological process…

physics.optics2023

Highly-confined and tunable plasmonics based on two-dimensional solid-state defect lattices

Ali Ghorashi, Nicholas Rivera, Bowen Shi +4

Plasmons, collective excitations of electrons in solids, are associated with strongly confined electromagnetic fields, with wavelengths far below the wavelength of photons in free…

cond-mat.mtrl-sci2023★ 16 cited

Circular Dichroism of Crystals from First Principles

Christian Multunas, Andrew Grieder, Junqing Xu +2

Chiral crystals show promise for spintronic technologies on account of their high spin selectivity, which has led to significant recent interest in quantitative characterization an…

cond-mat.mes-hall2023★ 2 cited

Fractional focusing peaks and collective dynamics in two-dimensional Fermi liquids

Adbhut Gupta, Gitansh Kataria, Mani Chandra +6

Carrier transport in materials is often diffusive due to momentum-relaxing scattering with phonons and defects. Suppression of momentum-relaxing scattering can lead to the ballisti…