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Found 4 papers, 2 papers with code
Materials Discovery with Extreme Properties via AI-Driven Combinatorial Chemistry
The goal of most materials discovery is to discover materials that are superior to those currently known.
Optimal Planning of Hybrid Energy Storage Systems using Curtailed Renewable Energy through Deep Reinforcement Learning
Energy management systems (EMS) are becoming increasingly important in order to utilize the continuously growing curtailed renewable energy.
A2I Transformer: Permutation-equivariant attention network for pairwise and many-body interactions with minimal featurization
The combination of neural network potential (NNP) with molecular simulations plays an important role in an efficient and thorough understanding of a molecular system's potential energy surface (PES).
Generative Chemical Transformer: Neural Machine Learning of Molecular Geometric Structures from Chemical Language via Attention
GCT generates highly realistic chemical strings that satisfy both chemical and linguistic grammar rules.
