Ioannis M. Demetropoulos Ph.D.
One of the most difficult problems in molecular modeling is that the conformers of physical interest correspond to the few local energy minima above the best conformer or global minimum. Molecular optimization problems also arise in the study of clusters (gas/liquid phase). The large number of variables for polyatomic molecular geometry optimization constitutes a computationally intensive job. Novel algorithms and computational approaches have been developed over the years in this Laboratory aiming to the determination of flexible molecules, stable conformations (some emphasis on peptides and triglycerides). A molecular motif is computationally investigated for a particular property; the property can be one of the following a) effective enzyme's mimetic action b) a remarkably large second hyperpolarizability c) an unexpected low solution viscosity.EducationB.Sc in Chemistry (Aristotelian University of Thessaloniki, Greece) Ph.D in Theoretical Chemistry (Cambridge,U.K) 1976 - Academic Staff at the Physical Chemistry Sector, Chemistry Dept. Ioannina University, Greece. |
By this ResearcherRelated ContentUCLA Team Develops Graphene-Based SupercapacitorResearchers at University of California at Los Angeles (UCLA) have developed a supercapacitor or electrochemical capacitor (EC) composed of an expanded network of graphene — a one-atom-thick layer of graphitic carbon. The team demonstrated excellent mechanical and electrical properties as well as exceptionally high surface area.
Graphene: Synthesis and Applications: Author InterviewAs the nanocommunity celebrates the year since the pioneers of graphene won the Nobel Prize, NanoScienceWorks.org speaks with the co-editor of Graphene: Synthesis and Applications. This is first comprehensive book to look at the exciting industrial properties and promises of graphene’s planar sheet. Prof. Wonbong Choi is the Director of Nanomaterials & Device Laboratory at Florida International University’s Department of Mechanical and Materials Engineering.
Rice University Opens Graphene for Organic ChemistryRice University researchers have found a highly controllable way to attach organic molecules to pristine graphene. The work opens the door for a new class of chemical sensors, thermoelectric devices and metamaterials.
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CRC Press — 2010 NanoScience and CleanTech catalog
