Chenru Duan Citation name: Duan, C. Affiliation: Massachusetts Institute of Technology State: MA Country: USA Authored:(710b) Strategies and Software for Accelerating Inorganic Molecular DesignJon Paul JanetHeather J. KulikChenru DuanAditya NandyStefan Gugler2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(699g) Accelerating Inorganic Discovery with Machine Learning and AutomationHeather J. KulikJon Paul JanetAditya NandyChenru DuanStefan Gugler2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(162b) Exploiting Electronic Structure and Machine Learning Models for Discovery in Transition Metal ChemistryHeather J. KulikJon Paul JanetFang LiuAditya NandyChenru Duan2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(443e) Using Data Driven Models to Gain Insight on Spin- and Oxidation-State Dependent Behavior of Reaction Energetics for Light Alkane OxidationHeather J. KulikJon Paul JanetChenru DuanAditya Nandy2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(246e) Machine Learning and Transition Metal Chemistry: Data-Driven Comparisons of First and Second Row ComplexesJon Paul JanetDaniel HarperChenru DuanNaveen ArunachalamAditya NandyHeather J. Kulik2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(729f) Multirefpredict: An Automated Workflow for Method Selection of First Principles Calculations on Transition Metal ChemistryFang LiuChenru DuanHeather J. Kulik2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)(427c) Breaking the Rules: Open Shell Systems Break Strong Scaling Relations and Allow Discovery of Materials with Improved Multiple Property TargetingAditya NandyChenru DuanHeather J. Kulik2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)(285e) A Database with Automated Quantum Chemistry Calculations and Machine Learning for Functional Transition Metal Complex DiscoveryMichael TaylorChenru DuanDaniel HarperAditya NandyNaveen ArunachalamFang LiuHeather J. Kulik2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)(346m) Navigating Combinatorial Challenges in High-Throughput Transition Metal Complex DiscoveryNaveen ArunachalamAditya NandyChenru DuanMichael TaylorDaniel HarperHeather J. Kulik2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)(106a) Molecular Design Blueprints: Catalysts and Principles from New Simulation and Machine Learning ToolsHeather J. KulikAditya NandyDaniel HarperMichael TaylorChenru DuanFang LiuNaveen ArunachalamJon Paul Janet2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)(477b) Leveraging Experimental Transition Metal Complex Information to Improve Generalizability of Machine Learning ModelsMichael TaylorChenru DuanNaveen ArunachalamAditya NandyDaniel HarperHeather J. Kulik2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1) Associated proceedings: 2018 AIChE Annual Meeting 2019 AIChE Annual Meeting 2020 Virtual AIChE Annual Meeting
