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.
Priyanka Bholanath Shukla Citation name Shukla, P. B. Affiliation University of Pittsburgh State PA Country USA Authored(199g) Modeling of Adsorption in Pristine and Defective Metal Organic Framework MaterialsXin WeiChristopher E. WilmerKarl JohnsonPriyanka Bholanath Shukla2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)(197x) How Do Self-Interaction Errors Associated with Stretched Bonds Affect Barrier Height Predictions?Priyanka Bholanath ShuklaTunna BaruahRajendra ZopeKoblar JacksonPrakash MishraKarl Johnson2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)(599h) Impact of Loading-Dependent Intrinsic Framework Flexibility on Adsorption in Uio-66Priyanka Bholanath ShuklaKarl Johnson2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)(62g) Reactive Active Learning for Machine Learning Potentials Using Transition-State Finding MethodsSiddarth AcharPriyanka Bholanath ShuklaChinmay MhatreCaitlyn VingerLeonardo BernasconiKarl Johnson2024 AIChE Annual Meeting (ISBN: 978-0-8169-1122-6)(569ax) Reactive Active Learning for Catalytic Discoveries: Methane Coupling on Titanium CarbideSiddarth AcharPriyanka Bholanath ShuklaChinmay MhatreCaitlyn VingerLeonardo BernasconiKarl Johnson2024 AIChE Annual Meeting (ISBN: 978-0-8169-1122-6)(169u) Perdew-Zunger Self-Interaction Correction for Ionization Energies of Transition Metal AtomsPriyanka Bholanath ShuklaRohan ManiarKoblar JacksonKarl JohnsonJohn P. Perdew2024 AIChE Annual Meeting (ISBN: 978-0-8169-1122-6)(569ab) Self-Interaction Correction for Transition Metal Acetate Clusters with Perdew-Zunger Self-Interaction-Correction (PZSIC)Priyanka Bholanath ShuklaKarl JohnsonKoblar Jackson2024 AIChE Annual Meeting (ISBN: 978-0-8169-1122-6)(248k) Gas Phase Reaction Exploration with Reactive Active LearningSiddarth AcharPriyanka Bholanath ShuklaChinmay MhatreCaitlyn VingerLeonardo BernasconiKarl Johnson2024 AIChE Annual Meeting (ISBN: 978-0-8169-1122-6)(364j) Assessing Accuracy and Improving Prediction of Chemical Reaction Barriers Using Density Functional Theory and Machine Learning ApproachesPriyanka Bholanath ShuklaKarl Johnson2024 AIChE Annual Meeting (ISBN: 978-0-8169-1122-6)(363q) Prediction of Chemical Reaction Barriers Using Density Functional Theory and Machine Learning ApproachesPriyanka Bholanath ShuklaKarl Johnson2024 AIChE Annual Meeting (ISBN: 978-0-8169-1122-6) Associated proceedings 2020 Virtual AIChE Annual Meeting 2023 AIChE Annual Meeting 2024 AIChE Annual Meeting
