The field of computational catalysis has survived in one form or another for at least 30 years. Its ultimate goal - the design of a novel catalyst uniquely from the computer. While this goal has not been reached yet, the 21st Century has already seen key progressions in capturing the multiple composite phenomena that are critical to catalyst behavior under reaction situations.
Computational chemistry is a part of chemistry that employs computer simulation to support in solving chemical problems. It uses techniques of theoretical chemistry, incorporated into effective computer programs, to calculate the structures and attributes of molecules and solids.
Title : Application of vanadium, tantalum and chromium single-site zeolite catalysts in catalysis
Stanislaw Dzwigaj, Sorbonne University, France
Title : Morphological studies of quaternary alloys
Yarub Al Douri, European Academy of Sciences, Belgium
Title : The Concept and Implications of Low Carbon Green Growth
Dai Yeun Jeong, Asia Climate Change Education Center, Korea, Republic of
Title : Advances in heterogeneous catalysis for green conversion of propene to aldehydes and alcohols
Ram Sambhar Shukla, CSIR-Central Salt and Marine Chemicals Research Institute (CSMCRI), India
Title : Advanced nanostructures for carbon neutrality and sustainable H₂ energy
Tokeer Ahmad, Jamia Millia Islamia, India
Title : Influence of various catalysts on H₂ enhancement and CO2 capture during syngas upgrading
Enrico Paris, CREA-IT & DIAEE, Italy
Title :
Ramesh C Gupta, Nagaland University, India
Title : Nanomaterials to fight cancer, cysts, infection, and numerous other health ailments: Human data
Thomas J Webster, Brown University, United States
Title : Single cell RNA sequencing reveals vascular heterogeneity and immune crosstalk in the glioma blood tumor barrier
Ling Yin, Cornell University, United States
Title : Dimethyl ether synthesis from syngas over Cu-Zn/Al2O3 catalysts prepared using the Sol-Gel method
Uday Som, Shizuoka University, Japan