Computational Molecular Science and Engineering Forum

Conference

AIChE Annual Meeting

Year

2021

Proceeding

2021 Annual Meeting

Chair(s)

Sarupria, S., University of Minnesota, Twin Cities

Areas

Computational Molecular Science and Engineering Forum

Sessions

November 7, 2021

3:30 PM to 6:00 PM

Applications of Data Science in Catalysis and Reaction Engineering I

Rational Design and Optimization of Soft Materials

Software Engineering in and for the Molecular Sciences

November 8, 2021

8:00 AM to 10:30 AM

Advanced batteries I

Applications of Data Science in Molecular Sciences I

Spotlights in Thermodynamics and Computational Molecular Science (Invited Talks)

12:30 PM to 3:00 PM

Applications of Data Science to High Throughput Experimentation

Data-Driven Design and Modeling I

Faculty Candidates in CoMSEF/Area 1a, Session 1

Plasma catalysis

3:30 PM to 6:00 PM

Data-Driven Design and Modeling II

Faculty Candidates in COMSEF/Area 1a, Session 2

Innovations in Methods of Data Science

Molecular and Data Science Modeling of Adsorption I

Perovskites, spinels, energy conversion, modeling of these systems

November 9, 2021

8:00 AM to 10:30 AM

Hybrid systems, halide perovskites, molecular modeling

Nanoscale Behavior of Sustainable Processes

Special Session In Honor of Arup Chakraborty's 60th Birthday: Statistical Mechanics and Molecular/Materials Modeling

Topical Plenary: Topical Conference in Molecular and Materials Data Science (Invited Talks)

12:30 PM to 3:00 PM

Applications of Data Science in Catalysis and Reaction Engineering II

Recent Advances in Multiscale Methodologies

Soft systems, molecular simulation, sustainability

Special Session In Honor of Arup Chakraborty's 60th Birthday: Biology and Immunology

3:30 PM to 6:00 PM

Advanced batteries II

Applications of Data Science in Molecular Sciences II

3:30 PM to 5:00 PM

CoMSEF Poster Session

November 10, 2021

8:00 AM to 10:30 AM

Practical Applications of Computational Chemistry and Molecular Simulation I

Teaching Data Science to Students and Teachers I

12:30 PM to 3:00 PM

Practical Applications of Computational Chemistry and Molecular Simulation II

Teaching Data Science to Students and Teachers II

3:30 PM to 6:00 PM

Computational Studies of Early-Stage and Low-Dimensional Self-Assembly

Molecular Simulations for Designing Adsorbents and Adsorption Processes I

Plenary Session: Computational Molecular Science and Engineering Forum (Invited only)

November 11, 2021

8:00 AM to 10:30 AM

Recent Advances in Molecular Simulation Methods

12:30 PM to 3:00 PM

Applications of Molecular Modeling to Study Interfacial Phenomena I

3:30 PM to 6:00 PM

Applications of Molecular Modeling to Study Interfacial Phenomena II

Development of Intermolecular Potential Models

November 15, 2021

8:00 AM to 10:40 AM

Teaching Data Science to Students and Teachers III

10:30 AM to 12:00 PM

CoMSEF Poster Session - Virtual

12:30 PM to 3:00 PM

Molecular and Data Science Modeling of Adsorption II

3:30 PM to 6:00 PM

Molecular Simulations for Designing Adsorbents and Adsorption Processes II

November 16, 2021

8:00 AM to 10:30 AM

Recent Advances and Applications of Molecular Modeling Virtual

12:30 PM to 3:10 PM

Practical Applications of Computational Chemistry and Molecular Simulation III

3:30 PM to 6:00 PM

Data-Driven Design and Modeling Virtual

November 18, 2021

8:00 AM to 10:30 AM

Practical Application of Process Data Analytics and Machine Learning (Invited Talks)

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