249 citations · 252 across the 4 of their papers we have counts for
3 papers · 1 filter
Giant Nonequilibrium Fluctuations at a Reactive Surface
Hyun Tae Jung, Hyungjun Kim, Alejandro L. Garcia +4
We investigate whether giant fluctuations in a gas can induce corresponding fluctuations on a reactive surface in contact with the gas. Numerical simulations of a minimal heterogen…
Thermodynamically Consistent Incorporation of the Langmuir Adsorption Model into Compressible Fluctuating Hydrodynamics
Hyun Tae Jung, Hyungjun Kim, Alejandro L. Garcia +4
For a gas-solid interfacial system where chemical species undergo reversible adsorption, we develop a mesoscopic stochastic modeling method that simulates both gas-phase hydrodynam…
A foundation model for atomistic materials chemistry
Ilyes Batatia, Philipp Benner, Yuan Chiang +85
Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much…