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A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis

Autonomous Chemical Experiments: Challenges and Perspectives on Establishing a Self-Driving Lab

Parallel tempered genetic algorithm guided by deep neural networks for inverse molecular design

Assigning confidence to molecular property prediction

Beyond generative models: superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES

Data-Driven Strategies for Accelerated Materials Design

Navigating through the Maze of Homogeneous Catalyst Design with Machine Learning

Organic molecules with inverted gaps between first excited singlet and triplet states and appreciable fluorescence rates

A Universal Quantitative Descriptor of the Dispersion Interaction Potential

Compensation of London Dispersion in the Gas Phase and in Aprotic Solvents

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