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 : Industrial scale production of high performance nanophotocatalysts: Flame Spray Pyrolysis (FSP) as a scalable technology for transition from lab to industrial engineering and the TRL hurdles
Yiannis Deligiannakis, University of Ioannina, Greece
Title : Application of metal single-site zeolite catalysts in catalysis
Stanislaw Dzwigaj, Sorbonne University, France
Title : Corrosion risk management and process safety in chemical engineering processes
Alec Groysman, Technion (Israeli Institute of Technology), Israel
Title : TiO2 photocatalytic removal of hexavalent chromium and arsenic
Marta Litter, University of General San Martin, Argentina
Title : Green hydrogen by 2030 in UK
Kevin Kendall, University of Cambridge, United Kingdom
Title : TE/TM polarization MMI combiner based on silicon slot-waveguide technology
Dror Malka, Holon Institute of Technology (HIT), Israel
Title : Tunable Unsymmetrical Ferrocene based Ligands (MPhos) for API Synthesis via Csp2-Csp3 Cross Couplings
Thomas J Colacot, MilliporeSigma, United States
Title : Interface design for circular bio-composites: sensing the failure
Pieter Samyn, SIRRIS–Department Innovations in Circular Economy, Belgium
Title : Sorption Enhanced Water Gas Shift (SEWGS) process during biomass gasification
Enrico Paris, CREA-IT & DIAEE, Italy
Title : Shape reversibility and temperature deformation relations in shape memory alloys
Osman Adiguzel, Firat university, Turkey