Yamil Colón

(669b) Understanding Structure-Property Relationship of Metal-Organic Frameworks and Their Efficiency on Second Harmonic Generation

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

2022 Annual Meeting (ISBN: 978-0-8169-1118-9)

(599a) Active Learning for Efficient Navigation of Multi-Component Gas Adsorption Landscapes in a MOF

Krishnendu Mukherjee

(420e) Active Learning for Data-Efficient Training of Machine Learning Models to Predict Adsorption in Metal-Organic Frameworks (MOFs).

Etinosa Osaro

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(609f) Simulating Soft Porous Coordination Polymers As Adsorbents

James Carpenter

(535h) Activity Coefficient Acquisition with Thermodynamics-Informed Active Learning for Phase Diagram Construction

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(451h) Informing Graph Convolutional Networks with Molecular Mechanics: A Case Study of Sigma Profile Prediction

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(197v) Novel Sustainable Materials Design with Thermodynamics-Informed Machine Learning

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(107b) Navigating the Landscape of Advanced Materials

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

(636c) Structure-Property Relationships for the Electrothermic and Thermophysical Properties of Ionic Liquids Under External Electric Fields

2023 AIChE Annual Meeting (ISBN: 978-0-8169-1120-2)

Fernando Carmona Esteva

Yong Zhang

(4lp) Structure-Property Relationships for the Thermophysical Properties of Ionic Liquids Under External Electric Fields

2024 AIChE Annual Meeting (ISBN: 978-0-8169-1122-6)

Fernando Carmona Esteva

Yong Zhang

(169cx) Developing an Open-Source Tool for Generating Rich and Consistent Sigma Profiles

2024 AIChE Annual Meeting (ISBN: 978-0-8169-1122-6)

Fathya Salih

(738f) Active Learning for Molecular Simulations of Adsorption in Metal-Organic Frameworks

2024 AIChE Annual Meeting (ISBN: 978-0-8169-1122-6)