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Publications
Proceedings
2021 Annual Meeting
Computational Molecular Science and Engineering Forum
2021 Annual Meeting
Group: Computational Molecular Science and Engineering Forum
Chairs
Jeetain Mittal
Sapna Sarupria
, University of Minnesota, Twin Cities
Areas
Computational Molecular Science and Engineering Forum
Sessions
November 07, 2021
03:30 PM
to
06:00 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 08, 2021
08:00 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
03:00 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
03:30 PM
to
06:00 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 09, 2021
08:00 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
03:00 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
03:30 PM
to
05:00 PM
CoMSEF Poster Session
03:30 PM
to
06:00 PM
Advanced batteries II
Applications of Data Science in Molecular Sciences II
November 10, 2021
08:00 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
03:00 PM
Practical Applications of Computational Chemistry and Molecular Simulation II
Teaching Data Science to Students and Teachers II
03:30 PM
to
06:00 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
08:00 AM
to
10:30 AM
Recent Advances in Molecular Simulation Methods
12:30 PM
to
03:00 PM
Applications of Molecular Modeling to Study Interfacial Phenomena I
03:30 PM
to
06:00 PM
Applications of Molecular Modeling to Study Interfacial Phenomena II
Development of Intermolecular Potential Models
November 15, 2021
08:00 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
03:00 PM
Molecular and Data Science Modeling of Adsorption II
03:30 PM
to
06:00 PM
Molecular Simulations for Designing Adsorbents and Adsorption Processes II
November 16, 2021
08:00 AM
to
10:30 AM
Recent Advances and Applications of Molecular Modeling Virtual
12:30 PM
to
03:10 PM
Practical Applications of Computational Chemistry and Molecular Simulation III
03:30 PM
to
06:00 PM
Data-Driven Design and Modeling Virtual
November 18, 2021
08:00 AM
to
10:30 AM
Practical Application of Process Data Analytics and Machine Learning (Invited Talks)
