267 citations · 1k across the 39 of their papers we have counts for
39 papers
Composable Crystals: Controllable Materials Discovery via Concept Learning
Nian Liu, Yuwei Zeng, Ryoji Kubo +7
De novo crystal generation, a central task in materials discovery, aims to generate crystals that are simultaneously valid, stable, unique, and novel. Existing methods mainly rely…
Crys-JEPA: Accelerating Crystal Discovery via Embedding Screening and Generative Refinement
Nian Liu, Nikita Kazeev, Stephen Gregory Dale +8
De novo crystal generation seeks to discover materials that are not merely realistic, but also stable and novel. However, most existing generative models are trained to maximize th…
Inverse Design of Broadband Antennas for Terahertz Devices Based on 2D Materials
M. Lukianov, A. Maevskiy, N. Kazeev +5
Terahertz (THz) technology, a cornerstone of next-generation high-speed communication and sensing, has long been hindered by impedance mismatch challenges that limit device perform…
Time-local stochastic equation of motion for solid ionic electrolytes
Aleksandr Rodin, Ben Andrew Olsen, Andrey Ustyuzhanin +1
Numerical studies of ionic motion through solid electrolytes commonly involve static nudged-elastic band (NEB) methods or costly \emph{ab initio} molecular dynamics (AIMD). Buildin…
Predicting ionic conductivity in solids from the machine-learned potential energy landscape
Artem Maevskiy, Alexandra Carvalho, Emil Sataev +5
Discovering new superionic materials is essential for advancing solid-state batteries, which offer improved energy density and safety compared to the traditional lithium-ion batter…
Local-time formula for dissipation in solid ionic electrolytes
A. Rodin, B. A. Olsen, A. Ustyuzhanin +2
When ions move through solids, they interact with the solid's constituent atoms and cause them to vibrate around their equilibrium points. This vibration, in turn, modifies the pot…