57 citations · 90 across the 5 of their papers we have counts for
5 papers
De novo Design of Polymer Electrolytes with High Conductivity using GPT-based and Diffusion-based Generative Models
Zhenze Yang, Weike Ye, Xiangyun Lei +3
Solid polymer electrolytes hold significant promise as materials for next-generation batteries due to their superior safety performance, enhanced specific energy, and extended life…
A Self-Improvable Polymer Discovery Framework Based on Conditional Generative Model
Arash Khajeh, Xiangyun Lei, Weike Ye +3
In this work, we introduce a polymer discovery platform to efficiently design polymers with tailored properties, exemplified by the discovery of high-performance polymer electrolyt…
What is missing in autonomous discovery: Open challenges for the community
Phillip M. Maffettone, Pascal Friederich, Sterling G. Baird +16
Self-driving labs (SDLs) leverage combinations of artificial intelligence, automation, and advanced computing to accelerate scientific discovery. The promise of this field has give…
A cloud platform for automating and sharing analysis of raw simulation data from high throughput polymer molecular dynamics simulations
Tian Xie, Ha-Kyung Kwon, Daniel Schweigert +9
Open material databases storing hundreds of thousands of material structures and their corresponding properties have become the cornerstone of modern computational materials scienc…
A user-centered approach to designing an experimental laboratory data platform
Ha-Kyung Kwon, Chirranjeevi Balaji Gopal, Jared Kirschner +2
While automated experiments and high-throughput methods are becoming more mainstream in the age of data, empowering individual researchers to capture, collate, and contextualize th…