Computer-aided molecular design: An introduction and review of tools, applications, and solution techniques ND Austin, NV Sahinidis, DW Trahan Chemical Engineering Research and Design 116, 2-26, 2016 | 222 | 2016 |
A COSMO-based approach to computer-aided mixture design ND Austin, NV Sahinidis, DW Trahan Chemical Engineering Science 159, 93-105, 2017 | 72 | 2017 |
COSMO‐based computer‐aided molecular/mixture design: A focus on reaction solvents ND Austin, NV Sahinidis, IA Konstantinov, DW Trahan AIChE Journal 64 (1), 104-122, 2018 | 56 | 2018 |
Mixture design using derivative‐free optimization in the space of individual component properties ND Austin, AP Samudra, NV Sahinidis, DW Trahan AIChE Journal 62 (5), 1514-1530, 2016 | 27 | 2016 |
Near-Ambient Temperature Halogen–Lithium Exchange of p-Bromoanisole and Related Substrates: Flow/Batch Studies DW Slocum, TK Reinscheld, ND Austin, D Kusmic, PE Whitley Synthesis 44 (16), 2531-2536, 2012 | 8 | 2012 |
The case for a common software library and a set of enumerated benchmark problems in computer-aided molecular design ND Austin Current Opinion in Chemical Engineering 35, 100724, 2022 | 4 | 2022 |
Tools for Computer-Aided Molecular and Mixture Design ND Austin Carnegie Mellon University, 2017 | 2 | 2017 |
Using Molecular Subgraph Libraries for High-Throughput Screening and the Inverse Design Problem N Austin 2019 AIChE Annual Meeting, 2019 | | 2019 |
Computer-Aided Polymer Design Using COSMO-RS N Austin 2018 AIChE Annual Meeting, 2018 | | 2018 |
Modifying metal-binding ligands of molecular motors based on star-shaped ruthenium complexes N Austin, R Stefak, G Rapenne ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 243, 2012 | | 2012 |