'Property prediction' presentation slideshows

Property Prediction and CAMD

649 views • 50 slides

Property Prediction and CAMD

507 views • 50 slides

HDMR Methodology

GLOBAL SENSITIVITY ANALYSIS BY RANDOM SAMPLING - HIGH DIMENSIONAL MODEL REPRESENTATION (RS-HDMR) Herschel Rabitz Department of Chemistry, Princeton University, Princeton, New Jersey 08544. HDMR Methodology. HDMR expresses a system output as a hierarchical correlated function expansion of inputs:.

541 views • 37 slides

Selection of Molecular Descriptor Subsets for Property Prediction

Selection of Molecular Descriptor Subsets for Property Prediction Inga Paster a , Neima Brauner b and Mordechai Shacham a , a Department of Chemical Engineering, Ben-Gurion University Beer-Sheva, Israel b School of Engineering, Tel-Aviv University Tel-Aviv, Israel. The Needs.

223 views • 22 slides

Design and Discovery of Optimal Molecular Scale Solar Antennas

Design and Discovery of Optimal Molecular Scale Solar Antennas. A Computational Method for Property Prediction. Sofia Izmailov Princeton University Chemistry Department Professor Herschel Rabitz. Problem Description. Molecular scale solar antennas are multi-component complex materials

210 views • 9 slides