Search for tag: "vlab-workshop"

OpenMKM Inputs and Examples of pMuTT and pGrAdd

Part 2 of the talk given by Dr. Gerhard Wittreich at the Virtual Kinetics Lab (VLab) Online Workshop on 13th December 2023. Workshop Details: https://dei.udel.edu/vlab_workshop/

From  Siddhant Meenor Lambor 0 likes 32 plays 0  

Fundamentals of Microkinetics

Part 1 of the talk given by Prof. Dionisios Vlachos (Unidel Dan Rich Chair in Energy Professor; Director – DEI, CCEI) at the Virtual Kinetics Lab (VLab) Online Workshop on 11th December…

From  Siddhant Meenor Lambor 0 likes 111 plays 0  

Automation in Microkinetic Modeling

Part 2 of the talk given by Prof. Dionisios Vlachos (Unidel Dan Rich Chair in Energy Professor; Director – DEI, CCEI) at the Virtual Kinetics Lab (VLab) Online Workshop on 11th December…

From  Siddhant Meenor Lambor 0 likes 34 plays 0  

Reaction Mechanisms and Statistical Thermodynamics

Part 1 of the talk given by Dr. Gerhard Wittreich at the Virtual Kinetics Lab (VLab) Online Workshop on 12th December 2023. Workshop Details: https://dei.udel.edu/vlab_workshop/

From  Siddhant Meenor Lambor 0 likes 42 plays 0  

pMuTT - python Multiscale Modeling Toolkit

Part 2 of the talk given by Dr. Gerhard Wittreich at the Virtual Kinetics Lab (VLab) Online Workshop on 12th December 2023. Workshop Details: https://dei.udel.edu/vlab_workshop/

From  Siddhant Meenor Lambor 0 likes 39 plays 0  

Semi-empirical methods and pGrAdd - python Group Additivity

Part 1 of the talk given by Dr. Gerhard Wittreich at the Virtual Kinetics Lab (VLab) Online Workshop on 13th December 2023. Workshop Details: https://dei.udel.edu/vlab_workshop/

From  Siddhant Meenor Lambor 0 likes 16 plays 0  

OpenMKM - Open Source Microkinetic Modeling

Talk given by Dr. Sashank Kasiraju (Computational Scientist, University of Delaware) at the Virtual Kinetics Lab (VLab) Online Workshop on 14th December 2023. Workshop Details:…

From  Siddhant Meenor Lambor 0 likes 61 plays 0  

ReNView - Reaction Network Viewer

Talk given by Dr. Udit Gupta (Solutions Architect, Siemens) at the Virtual Kinetics Lab (VLab) Online Workshop on 14th December 2023. Workshop Details: https://dei.udel.edu/vlab_workshop/

From  Siddhant Meenor Lambor 0 likes 12 plays 0  

petBOA - Parameter Estimation with Bayesian Optimization

Talk given by Dr. Sashank Kasiraju (Computational Scientist, University of Delaware) at the Virtual Kinetics Lab (VLab) Online Workshop on 14th December 2023. Workshop Details:…

From  Siddhant Meenor Lambor 0 likes 17 plays 0  

CKineticsDB - Chemical Kinetics Database

Talk given by Siddhant Lambor (Computer Software Engineer, University of Delaware) at the Virtual Kinetics Lab (VLab) Online Workshop on 15th December 2023. Workshop Details:…

From  Siddhant Meenor Lambor 0 likes 14 plays 0  

NEXTorch - Next Experiment toolkit in PyTorch/BoTorch

Talk given by Dr. Yifan Wang (Research Scientist, Meta) at the Virtual Kinetics Lab (VLab) Online Workshop on 15th December 2023. Workshop Details: https://dei.udel.edu/vlab_workshop/

From  Siddhant Meenor Lambor 0 likes 12 plays 0  

AIMSIM - Artificial Intelligence Molecular Similarity; and astartes

Talk given by Jackson Burns (DOE Fellow; PhD candidate, MIT) at the Virtual Kinetics Lab (VLab) Online Workshop on 15th December 2023. Workshop Details: https://dei.udel.edu/vlab_workshop/

From  Siddhant Meenor Lambor 0 likes 12 plays 0