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 : Human impact on natural environment and its implications
Dai Yeun Jeong, Asia Climate Change Education Center, Korea, Republic of
Title : Solar heterogeneous photocatalysis and photochemistry for urban wastewater regeneration and reuse
Isabel Oller Alberola, Plataforma Solar de Almería, Spain
Title : Perspective of ruthenium complex catalyst system for selective oxidation of methane
Ram Sambhar Shukla, CSIR-Central Salt and Marine Chemicals Research Institute (CSMCRI), India
Title : Personalized and Precision Medicine PPM as a unique healthcare model through biodesign inspired and biotech driven translational applications and upgraded business marketing to secure the human healthcare and biosafety
Sergey Suchkov, R&D Director of the National Center for Human Photosynthesis, Mexico
Title : Effect of bed material on syngas quality: Comparison of biomass gasification with different bed materials
Enrico Paris, CREA-IT & DIAEE, Italy
Title : 30,000 nano implants in humans with no infections, no loosening, and no failures
Thomas J Webster, Interstellar Therapeutics, United States
Title : Thermomechanical processes and transformations governing reversibility in shape memory alloys
Osman Adiguzel, Firat University, Turkey
Title : Design of nanocomposite materials for active components of structured catalysts for biofuels transformation into syngas, catalytic layers of membrane reactors with oxygen/hydrogen separation and anodes of solid oxide fuels cells operating in the internal reforming mode
Vladislav Sadykov, Boreskov Institute of Catalysis, Russian Federation
Title : Multi-component heterostructures for scalable green H2 production using overall catalysis
Tokeer Ahmad, Jamia Millia Islamia, India
Title : Research progress and future development trend of plasma technology in the field of mercury removal from flue gas
Ying Li, School of Energy and Power Engineering Jiangsu University, China