301 citations · 666 across the 10 of their papers we have counts for
10 papers
Selective formation of metastable polymorphs in solid-state synthesis
Yan Zeng, Nathan J. Szymanski, Tanjin He +6
Metastable polymorphs often result from the interplay between thermodynamics and kinetics. Despite advances in predictive synthesis for solution-based techniques, there remains a l…
Precursor recommendation for inorganic synthesis by machine learning materials similarity from scientific literature
Tanjin He, Haoyan Huo, Christopher J. Bartel +3
Synthesis prediction is a key accelerator for the rapid design of advanced materials. However, determining synthesis variables such as the choice of precursor materials is challeng…
Text-mined dataset of gold nanoparticle synthesis procedures, morphologies, and size entities
Kevin Cruse, Amalie Trewartha, Sanghoon Lee +6
Gold nanoparticles are highly desired for a range of technological applications due to their tunable properties, which are dictated by the size and shape of the constituent particl…
Machine-learning rationalization and prediction of solid-state synthesis conditions
Haoyan Huo, Christopher J. Bartel, Tanjin He +5
There currently exist no quantitative methods to determine the appropriate conditions for solid-state synthesis. This not only hinders the experimental realization of novel materia…
ULSA: Unified Language of Synthesis Actions for Representation of Synthesis Protocols
Zheren Wang, Kevin Cruse, Yuxing Fei +7
Applying AI power to predict syntheses of novel materials requires high-quality, large-scale datasets. Extraction of synthesis information from scientific publications is still cha…
Dataset of Solution-based Inorganic Materials Synthesis Recipes Extracted from the Scientific Literature
Zheren Wang, Olga Kononova, Kevin Cruse +8
The development of a materials synthesis route is usually based on heuristics and experience. A possible new approach would be to apply data-driven approaches to learn the patterns…
Synthetic accessibility and stability rules of NASICONs
Bin Ouyang, Jingyang Wang, Tanjin He +6
In this paper we develop the stability rules for NASICON structured materials, as an example of compounds with complex bond topology and composition. By applying machine learning t…
COVIDScholar: An automated COVID-19 research aggregation and analysis platform
Amalie Trewartha, John Dagdelen, Haoyan Huo +8
The ongoing COVID-19 pandemic has had far-reaching effects throughout society, and science is no exception. The scale, speed, and breadth of the scientific community's COVID-19 res…
Similarity of Precursors in Solid-state Synthesis as Text-Mined from Scientific Literature
Tanjin He, Wenhao Sun, Haoyan Huo +5
Collecting and analyzing the vast amount of information available in the solid-state chemistry literature may accelerate our understanding of materials synthesis. However, one majo…
Unified Representation of Molecules and Crystals for Machine Learning
Haoyan Huo, Matthias Rupp
Accurate simulations of atomistic systems from first principles are limited by computational cost. In high-throughput settings, machine learning can reduce these costs significantl…