Dr. Susanta Das
Research Interests: My research mainly focuses on enzyme catalysis of formation of terpenes. Currently I investigate the bio-synthesis of Selinadiene catalyzed by Selinadiene synthase applying hybrid QM/MM methods.
Dr. Sandeep Kumar
Research Interests: My research area of interest is in Computational and Theoretical Condensed Matter Physics. Specially, in the field of electronic and magnetic structure of ordered and disordered alloys. During my PhD, I have studied the electronic, magnetic and phononic properties of both ordered and disordered alloys using the Green's function-based Korringa-Kohn-Rostoker atomic sphere approximation method within the coherent potential approximation. Recently, I am focusing on the computational design of Li-ion batteries using first-principles methods and how dopants change the properties of these materials in terms of electronic, magnetic, chemical and other properties.
Dr. Ortal Marciano
Research Interests: My research focuses on energy calculations of copper binding proteins (Atox, CuSB, CuSF)
Dr. Tamar Ansbacher
Position: Senior Researcher
Research Interests: In our research, we investigate the detailed mechanism for taxadiene formation by taxadiene synthase. This contains a sequence of ring-closures and proton transfer steps, using computational hybrid QM/MM methods.
Position: Ph.D. Student
Research Interests: My research mainly focuses on computational enzymology, particularly molecular modeling of enzymatic assisted hydride transfer reaction in DHFR. In addition, we develop software tools that helps conducting the simulations, and analyzing the data.
Position: Ph.D. Student
Research Interests: The ion abundance of molecular clusters of chiral amino acids can strongly depend on their chiral composition. For example, the Serine octamer and the 12-mer of Proline are strongly enhanced by using enantiopure precursors. My research focuses on the influence of chiral composition of clusters of amino acids with other chiral amino acids and molecules on the ion abundance and in particular on the magic numbers that represent particularly stable structures.
Position: Ph.D. Student
Research Interests: My research mainly deals with enzyme catalysis of formation of terpenes. In order to do so, I am using QM/MM methods. Currently I am investigating the mechanism of the bacterial di-terpene CotB2.
Research Interests: Enzyme catalysis of formation of terpenes, applying hybrid QM/MM methods;
Thermodynamic properties calculations for Terpenes as biofuel material using DFT.
Research Interests: My research deals with Terpenes cyclization catalyzed inside a supramolecular capsule. I mainly focus on understanding the mechanism of cyclization of farnesyl acetate inside the capsule by applying hybrid QM/MM methods.
Jennifer Shulamit Shpilman
Research Interests: Examine potential bio-inspired oxygen reduction catalysts for fuel cells, namely metallocorroles. We study and characterize metallocorroles with different structure to understand how it affects the catalytic activity. We investigated the metallocorroles by performing DFT calculations, to estimate their stability and electronic structure.
Name and position in group
Dr. Vijay Singh, Post-doc
Dr. Mudit Dixit, Post-doc
Dr. Tali Engel, Ph.D.
Dr. Alex Vardi, Post-doc
Dr. Alina Osnis, Ph.D.
Dr. Amir Rubinstein, M.Sc.
Dr. Asaf Azuri, M.Sc.
Ben Dlugatch, M.Sc.
Dr. Dvir Doron, Ph.D.
Haim Sazan, M.Sc.
Hila Martziano, M.Sc.
Karin Povolozki, M.Sc.
Dr. Michal Weitman, Post-doc
Dr. Monica Kosa, Post-doc
Dr. Reuven Eitan, Post-doc
Yehoshua Freud, M.Sc.
Neta Nitoker, M.Sc.
Post-doctoral Fellow, CEA-Liten, Grenoble, France
Post-doc at University of Pittsburgh
Senior researcher, Blavatnik Center for Drug Discovery, Tel-Aviv University
Researcher at Pepticom
Chem & Energy Tech. Manager LG electronics
Scientific advisor at Pearl Cohen Zedek Latzer Baratz
Senior researcher, Weizmann Institute of Science
Chemical Toxicologist at Teva Pharmaceutical Industries Ltd in the Chemical & Computational Toxicology team
Ph.D. student, Bar-Ilan University
Head of quality assurance, Shaniv Paper Industries Ltd.
Chromatography and Mass-Spectroscopy Application support and training at Eldan Electronic Instruments Co. Ltd.
Head of Mass Spectrometry Unit, Bar-Ilan University
Computational Chemistry Unit, Organic Chemistry
Department, Schulich Faculty of Chemistry, Technion
Software developer, Optimata
Computational chemist, Evogene
Molecular hematology lab worker, Sheba medical center
Dr. Anil Mhashal
Research Interests: Molecular modeling and simulation of bio-molecular systems. Theoretical investigation of enzyme catalyzed reactions from hybrid quantum mechanics/molecular mechanics Hamiltonians.
Dr. Arup Chakraborty
Research Interests: My area of research is computational condensed matter physics. At present, I am involved in searching for cathode materials for Li-ion batteries with high energy density and in the study of nano-clusters.
Dr. Sooraj K
Research Interests: Understanding the mechanism and kinetics of chemical reactions of diverse applications using computational studies. Currently, I am working on the development of cathode materials for lithium-ion batteries (LIBs) and mechanism of degradation of electrolyte on the cathode surfaces of LIBs.