Peter JarowskiInteraQt: Fully Automated Quantum Chemical Supramolecular ChemistryDec 22, 2021Dec 22, 2021
Peter JarowskiInteraQt: Fully Automated Quantum Chemical Supramolecular ChemistryTo the extent that molecular (al)chemistry* has evolved into an applied science the next frontier has become supramolecular chemistry. The…Dec 22, 2021Dec 22, 2021
Peter JarowskiConstruQt — The Beginnings of the Chemical Data RevolutionChemical Data Has ProblemsFeb 3, 2020Feb 3, 2020
Peter JarowskiSurfing the Potential Energy Surface — Automatic Reaction Analytics with Quantum ChemistryExperimental synthetic chemistry is a roughly dismal empirical science where the best practitioner cannot expect to be successful more…May 22, 2019May 22, 2019
Peter JarowskiQuantum is Cleaner — Conformational Analysis in Ligand-based Drug DesignDrug discoverers require high throughput technology in both experimental and computational (virtual) library screening workflows to offset…Mar 22, 20191Mar 22, 20191
Peter JarowskiCan Quantum Chemistry Predict, or Just Explain?Can Quantum Chemistry Predict, or Just Explain?Jan 11, 2019Jan 11, 2019
Peter JarowskiConstruQt White PaperConstruQt — a Reliable Molecular Structure PredictorJan 11, 2019Jan 11, 2019
Peter JarowskiHigh Throughput Quantum ChemistryHigh Throughput Quantum Chemistry for Drug Discovery — Towards Reaction ScreeningJan 11, 2019Jan 11, 2019