Publications (21)
The Materials Science Procedural Text Corpus: Annotating Materials Synthesis Procedures with Shallow Semantic Structures
Sheshera Mysore, Zach Jensen, Edward Kim +6
Materials science literature contains millions of materials synthesis procedures described in unstructured natural language text. Large-scale analysis of these synthesis procedures…
Augmenting Scientific Creativity with Retrieval across Knowledge Domains
Hyeonsu B. Kang, Sheshera Mysore, Kevin Huang +5
Exposure to ideas in domains outside a scientist's own may benefit her in reformulating existing research problems in novel ways and discovering new application domains for existin…
The Cloud Next Door: Investigating the Environmental and Socioeconomic Strain of Datacenters on Local Communities
Wacuka Ngata, Noman Bashir, Michelle Westerlaken +3
Datacenters have become the backbone of modern digital infrastructure, powering the rapid rise of artificial intelligence and promising economic growth and technological progress.…
Deep Reinforcement Learning for Inverse Inorganic Materials Design
Elton Pan, Christopher Karpovich, Elsa Olivetti
A major obstacle to the realization of novel inorganic materials with desirable properties is the inability to perform efficient optimization across both materials properties and s…
Graph similarity drives zeolite diffusionless transformations and intergrowth
Daniel Schwalbe-Koda, Zach Jensen, Elsa Olivetti +1
Predicting and directing polymorphic transformations is a critical challenge in zeolite synthesis. Although interzeolite transformations enable selective crystallization, their des…
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…