Johannes Hachmann
Publications by Year
Research Areas
Machine Learning in Materials Science, Computational Drug Discovery Methods, Various Chemistry Research Topics, Advanced Chemical Physics Studies, Organic Electronics and Photovoltaics
Most-Cited Works
- → The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid(2011)684 cited
- → Orbital optimization in the density matrix renormalization group, with applications to polyenes and β-carotene(2008)338 cited
- → Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry – the Harvard Clean Energy Project(2013)261 cited
- → Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics(2011)208 cited
- → Multireference correlation in long molecules with the quadratic scaling density matrix renormalization group(2006)202 cited
- → The Harvard organic photovoltaic dataset(2016)141 cited
- → An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry(2008)82 cited
- → Metrics for Benchmarking and Uncertainty Quantification: Quality, Applicability, and Best Practices for Machine Learning in Chemistry(2021)65 cited
- → ChemML : A machine learning and informatics program package for the analysis, mining, and modeling of chemical and materials data(2020)63 cited
- → Accelerated Discovery of High-Refractive-Index Polyimides via First-Principles Molecular Modeling, Virtual High-Throughput Screening, and Data Mining(2019)54 cited