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Langmuir : the ACS Journal of Surfaces and Colloids|July 10, 2015
DFT-Derived Force Fields for Modeling Hydrocarbon Adsorption in MIL-47(V)Ambarish R Kulkarni, David S Sholl
Chemsuschem|July 6, 2012
Role of amine structure on carbon dioxide adsorption from ultradilute gas streams such as ambient airStephanie A Didas, Ambarish R Kulkarni, David S Sholl, et al.
Journal of Chemical Theory and Computation|October 30, 2025
Modeling Diffusion in Metal-Organic Frameworks Using On-the-fly Probability Enhanced Sampling-Based Machine Learning PotentialsSudheesh Kumar Ethirajan, Ambarish R Kulkarni
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|February 3, 2023
Predicting Structural Properties of Pure Silica Zeolites Using Deep Neural Network PotentialsTyler G Sours, Ambarish R Kulkarni
Langmuir : the ACS Journal of Surfaces and Colloids|February 5, 2024
Developing Cheap but Useful Machine Learning-Based Models for Investigating High-Entropy Alloy CatalystsChenghan Sun, Rajat Goel, Ambarish R Kulkarni
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|June 26, 2025
Electronic and Geometric Contributors to Hydrogen Binding in Uranium Oxide Grain BoundariesRajat Goel, Nir Goldman, Ambarish R Kulkarni
Langmuir : the ACS Journal of Surfaces and Colloids|April 6, 2006
Testing predictions of macroscopic binary diffusion coefficients using lattice models with site heterogeneityDavid S Sholl
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|February 4, 2026
Examination of Replicate Syntheses of Metal Organic Frameworks as a Window into Reproducibility in Materials ChemistryDavid S Sholl
Langmuir : the ACS Journal of Surfaces and Colloids|January 13, 2006
Efficient simulation of binary adsorption isotherms using transition matrix Monte CarloHaibin Chen, David S Sholl
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