5 citations · 15 across the 9 of their papers we have counts for
4 papers · 1 filter
LeMat-Synth: a multi-modal toolbox to curate broad synthesis procedure databases from scientific literature
Magdalena Lederbauer, Siddharth Betala, Valerie Gentzke +22
Wide access to advanced experimental methods in materials science has given rise to an abundance of procedural knowledge, which is scattered across decades of scientific literature…
DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning
Elton Pan, Soonhyoung Kwon, Sulin Liu +9
The synthesis of crystalline materials, such as zeolites, remains a significant challenge due to a high-dimensional synthesis space, intricate structure-synthesis relationships and…
Language Models Enable Data-Augmented Synthesis Planning for Inorganic Materials
Thorben Prein, Elton Pan, Janik Jehkul +3
Inorganic synthesis planning currently relies primarily on heuristic approaches or machine-learning models trained on limited datasets, which constrains its generality. We demonstr…
Retro-Rank-In: A Ranking-Based Approach for Inorganic Materials Synthesis Planning
Thorben Prein, Elton Pan, Sami Haddouti +8
Retrosynthesis strategically plans the synthesis of a chemical target compound from simpler, readily available precursor compounds. This process is critical for synthesizing novel…