COSMO-CAMD: A framework for optimization-based computer-aided molecular design using COSMO-RS J Scheffczyk, L Fleitmann, A Schwarz, M Lampe, A Bardow, K Leonhard Chemical Engineering Science 159, 84-92, 2017 | 72 | 2017 |
Massive, automated solvent screening for minimum energy demand in hybrid extraction–distillation using COSMO-RS J Scheffczyk, C Redepenning, CM Jens, B Winter, K Leonhard, ... Chemical Engineering Research and Design 115, 433-442, 2016 | 52 | 2016 |
COSMO-CAMPD: a framework for integrated design of molecules and processes based on COSMO-RS J Scheffczyk, P Schäfer, L Fleitmann, J Thien, C Redepenning, ... Molecular Systems Design & Engineering 3 (4), 645-657, 2018 | 45 | 2018 |
CO from CO 2 and fluctuating renewable energy via formic-acid derivatives CM Jens, K Nowakowski, J Scheffczyk, K Leonhard, A Bardow Green chemistry 18 (20), 5621-5629, 2016 | 33 | 2016 |
Rx-COSMO-CAMD: computer-aided molecular design of reaction solvents based on predictive kinetics from quantum chemistry C Gertig, L Kröger, L Fleitmann, J Scheffczyk, A Bardow, K Leonhard Industrial & Engineering Chemistry Research 58 (51), 22835-22846, 2019 | 29 | 2019 |
A hierarchical approach for solvent selection based on successive model refinement KF Kruber, J Scheffczyk, K Leonhard, A Bardow, M Skiborowski Computer aided chemical engineering 43, 325-330, 2018 | 17 | 2018 |
In-tegrated design of solvents in hybrid reaction-separation processes using COSMO-RS L Fleitmann, J Scheffczyk, P Schäfer, C Jens, K Leonhard, A Bardow Chem. Eng 69, 2018 | 10 | 2018 |
Integrated computer-aided design of molecules and processes using COSMO-RS JD Scheffczyk, A Bardow, KO Leonhard, K Sundmacher Lehrstuhl für Technische Thermodynamik und Institut für Thermodynamik, 2018 | 7 | 2018 |
Integrated process and solvent design using COSMO-RS for the production of CO from CO2 and H2 J Scheffczyk, P Schäfer, CM Jens, K Leonhard, A Bardow Computer Aided Chemical Engineering 40, 1765-1770, 2017 | 7 | 2017 |
From molecules to heat‐integrated processes: computer‐aided design of solvents and processes using quantum chemistry L Fleitmann, C Gertig, J Scheffczyk, J Schilling, K Leonhard, A Bardow Chemie Ingenieur Technik 95 (3), 368-380, 2023 | 3 | 2023 |
Computer-aided molecular design by combining genetic algorithms and COSMO-RS J Scheffczyk, L Fleitmann, A Schwarz, A Bardow, K Leonhard Computer Aided Chemical Engineering 38, 115-120, 2016 | 3 | 2016 |
Optimally designed solvent system for lignocellulosic biomass conversion supported by property predictions K Karacasulu, A Echtermeyer, C Kabatnik, J Scheffczyk, A Bardow, J Viell, ... Sustainable Energy & Fuels 6 (11), 2734-2744, 2022 | 1 | 2022 |
Energieeffizienz vs. Umweltauswirkungen: Integration von Molekül‐und Prozessdesign mit prädiktiver Ökobilanzierung J Kleinekorte, L Fleitmann, J Scheffczyk, A Bardow Chemie Ingenieur Technik 90 (9), 1163-1163, 2018 | 1 | 2018 |
Optimal Solvent Selection in Co-Solvent-Based Biomass Conversion Processes K Karacasulu, A Echtermeyer, C Kabatnik, JD Scheffczyk, A Bardow, ... 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
Integrierte Abscheidung und Umwandlung von CO2 zu CO durch integriertes Design von Lösungsmittel und Prozess mit COSMO‐RS L Fleitmann, J Scheffczyk, K Leonhard, A Bardow Chemie Ingenieur Technik 90 (9), 1158-1158, 2018 | | 2018 |
Automatisiertes In‐silico‐Design von optimalen Lösungsmitteln für Reaktionen auf Basis quantenchemischer Methoden CU Gertig, LC Kröger, JD Scheffczyk, A Bardow, K Leonhard Chemie Ingenieur Technik 90 (9), 1201-1202, 2018 | | 2018 |
Sustainable Solvents from Computer-Aided Molecular and Process Design with Predictive Life Cycle Assessment LHJ Fleitmann, J Kleinekorte, JD Scheffczyk, K Leonhard, A Bardow Tailor-Made Fuels: from Production to Propulsion: 6th International …, 2018 | | 2018 |
Sustainable Solvents from Combining Computer-Aided Molecular Design with Predictive Life Cycle Assessment J Kleinekorte, L Fleitmann, J Scheffczyk, A Bardow Jahrestagung der Fachgruppe Nachhaltige Chemie, 2018 | | 2018 |
Enhancement of Reaction Rates by Computer-Aided Molecular Design of Solvents Using COSMO-RS C Gertig, LC Kröger, LHJ Fleitmann, JD Scheffczyk, A Bardow, ... COSMO-RS Symposium 2018, 2018 | | 2018 |
COSMO-CAMPD: A Framework for Integrated Design of Solvents and Processes using COSMO-RS LHJ Fleitmann, JD Scheffczyk, P Schäfer, JJ Thien, K Leonhard, ... 5th-COSMO-RS-Symposium, 2018 | | 2018 |