2025 Spring Meeting and 21st Global Congress on Process Safety April 6-10, 2025 Hilton Anatole, Dallas, TX
2025 AIChE Annual Meeting November 2-6, 2025 John B. Hynes Veterans Memorial Convention Center, Marriott Copley Place, Sheraton Back Bay | Boston, MA
Archived Webinar Want to be an Entrepreneur? Personal Stories From Three Successful Entrepreneurs Who Have Traveled This Path.
Chenru Duan Citation name Duan, C. State MA Country USA Authored(710b) Strategies and Software for Accelerating Inorganic Molecular DesignJon Paul JanetHeather KulikChenru DuanAditya NandyStefan Gugler2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)(699g) Accelerating Inorganic Discovery with Machine Learning and AutomationHeather 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 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 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 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 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 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 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 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 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 Kulik2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)(342al) Transforming Automated Quantum Chemistry Calculation Workflows with Machine Learning: Towards Faster and More Accurate Chemical DiscoveryChenru DuanHeather Kulik2021 Annual Meeting (ISBN: 978-0-8169-1116-5)(118d) Semi-Supervised Learning Detects Safe Islands Where Density Functional Theory Is Applicable for Chemical DiscoveryChenru DuanAditya NandyFang LiuHeather Kulik2021 Annual Meeting (ISBN: 978-0-8169-1116-5)(4ef) Integrate Machine Learning in Automated Quantum Chemistry Calculation Workflows: Towards Faster and More Accurate Chemical DiscoveryChenru DuanHeather Kulik2021 Annual Meeting (ISBN: 978-0-8169-1116-5)(544k) Estimating and Correcting DFT Error of Metal-Organic Frameworks through Molecular DerivativesYeongsu ChoAditya NandyChenru DuanHeather Kulik2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2) Associated proceedings 2018 AIChE Annual Meeting 2019 AIChE Annual Meeting 2020 Virtual AIChE Annual Meeting 2021 Annual Meeting 2023 AIChE Annual Meeting
