Dan T. Major

Dan Major obtained his Ph.D. from the Chemistry Department at Bar-Ilan University (BIU) in 2003, followed by three years as a postdoctoral fellow at the University of Minnesota working with Prof. Jiali Gao.^[1] In 2007 he moved to the Chemistry Department at Bar-Ilan University, where he is now a full professor.^[2]

Major's research focuses on computational approaches to chemistry, biochemistry, and nanotechnology.^[3] These include the development of simulation methods, a study of enzyme reactions and protein dynamics, understanding natural product synthesis, development of protein-ligand docking programs, in silico design of Li-ion batteries, and fuel cell modeling. He develops classical and quantum simulation methods, and in particular tools for studying enzyme catalysis. This includes the development of path-integral methods for the simulations of zero-point energy and tunneling effects in condensed phase environments,^[4][5][6] methods for free energy simulations,^[7] and novel docking approaches. The simulation tools are typically used in conjunction with hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) methods and have been applied to a wide range of enzymes. Enzymatic systems studied in his research group include proton and hydride transfer reactions^[5][7] and terpene synthases.^{[8][9][10][11]} Additionally, Prof. Major has carried out numerous studies on physical and electrochemical properties of magnesium and lithium-ion batteries^[12] and fuel cells^[13] using modern quantum chemistry tools.

Among his awards is Excellence in teaching^[14] (2016-2017); Krill Prize^[15] of the Wolf Foundation (2009); Alon Fellowship^[16] (2008-2010); Fulbright Scholarship (2003-2004); Excellent young scientist from the Israeli Chemical Society^[17] (2001).

Dan Thomas Major is married to Laura Major, a Ph.D. in English Literature from Bar-Ilan University, who serves as the Head of the English Department at Achva Academic College.^[18] They live in Yad Binyamin and have five children.