Edward O. Pyzer‐Knapp

Accelerating materials discovery using artificial intelligence, high performance computing and robotics

Edward O. Pyzer‐Knapp, Jed W. Pitera, Peter Staar et al. · npj Computational Materials · 2022 · 345 citations · Full text

Artificial Intelligence, Materials Science, Technology +14

What Is High-Throughput Virtual Screening? A Perspective from Organic Materials Discovery

Edward O. Pyzer‐Knapp, Changwon Suh, Rafael Gómez‐Bombarelli et al. · Annual Review of Materials Research · 2015 · 313 citations · Full text

Computational Funnel, Engineering, Hit Identification +25

Learning from the Harvard Clean Energy Project: The Use of Neural Networks to Accelerate Materials Discovery

Edward O. Pyzer‐Knapp, Kewei Li, Alán Aspuru‐Guzik · Advanced Functional Materials · 2015 · 229 citations

Artificial Intelligence, Engineering, Machine Learning +25

Controlling the Crystallization of Porous Organic Cages: Molecular Analogs of Isoreticular Frameworks Using Shape-Specific Directing Solvents

Tom Hasell, Jamie L. Culshaw, Samantha Y. Chong et al. · Journal of the American Chemical Society · 2014 · 154 citations

Materials Science, Pore Structure, Engineering +14

The Harvard organic photovoltaic dataset

Steven A. Lopez, Edward O. Pyzer‐Knapp, Gregor N. C. Simm et al. · Scientific Data · 2016 · 139 citations · Full text