Group
Tamar Stein
Tamar Stein
Prof.
Tamar
Stein
Prof. Tamar Stein is an Associate Professor at the Fritz Haber Research Center for Molecular Dynamics at The Hebrew University of Jerusalem.
She received her Ph.D. in Theoretical Chemistry from The Hebrew University in 2013, and subsequently continued her research in quantum chemistry method development at Rice University in Houston, Texas. From 2015 to 2018, she worked at Lawrence Berkeley National Laboratory and collaborated with the NASA Astrobiology Institute.
She received her Ph.D. in Theoretical Chemistry from The Hebrew University in 2013, and subsequently continued her research in quantum chemistry method development at Rice University in Houston, Texas. From 2015 to 2018, she worked at Lawrence Berkeley National Laboratory and collaborated with the NASA Astrobiology Institute.
Estefanía R. Molina
Estefanía R. Molina
Dr.
Estefanía
R. Molina
Originally from Argentina, she obtained her PhD in Computational Chemistry from the University of Paris-Saclay. Her research has focused for several years on Molecular Dynamics, initially applied to mechanisms in Mass Spectrometry and later extended to atmospheric chemistry. In addition, she has experience in the development and application of Neural Network architectures to investigate chemical reactivity, and has implemented machine learning-based force calculations for Molecular Dynamics with the goal of computing infrared spectra. She currently serves as the lab manager, and her research centers on studying ground and excited-state reactivity in astrochemically relevant systems.
Alon Zamir
Alon Zamir
Alon
Zamir
Alon Zamir is a Ph.D. student in Theoretical Chemistry under the supervision of Dr. Tamar Stein.
He completed his B.Sc. in Chemistry with a minor in Mathematics at the Hebrew University of Jerusalem and continued in the group after his M.Sc. His current research focuses on developing ensemble density functional theory (DFT) methods for modeling photochemical processes. In addition to his research, Alon teaches courses on chemical bonding and probability.
Helen Eisenberg
Helen Eisenberg
Dr.
Helen
Eisenberg
Dr. Helen Eisenberg is a Research Associate working in collaboration with Prof. Tamar Stein and Prof. Roi Baer. She received her Ph.D. in the Physics of Complex Systems from the Weizmann Institute of Science. Her research focuses on the development of methods for performing first-principles quantum-mechanical calculations within the framework of density functional theory (DFT), with a particular emphasis on plane-wave DFT applied to systems with periodic boundary conditions, such as solid-state materials.
Another major area of her work involves applying DFT calculations to experimentally relevant systems which have periodic boundary conditions. Here, she is actively involved in collaborative projects with experimental groups, investigating systems involving interactions of molecules with solid surfaces, which are of particular relevance to catalysis, as well as molecular ices—an area of special interest to the Stein group.
Nevo Levy
Nevo Levy
Nevo
Levy
Nevo is currently studying for his MS.c in Theoretical Chemistry. He completed his Bachelor degree at the Hebrew University where he majored in chemistry and biology. Nevo's current research focuses on Ensemble Density Functional Theory (Ensemble DFT).
Alon Hayman
Alon Hayman
Alon
Hayman
In his bachelors degree, Alon Hayman majored in chemistry and minored in biology at the Hebrew University and he is currently studying his masters in theoretical chemistry under the joint guidance of Prof. Tamar Stein and Dr. Eli Kraisler.
His research focuses on the performance of exchange-correlation (XC) functionals within Density Functional Theory (DFT) for systems with varying fractional spin. His work offers valuable insight into the limitations of standard XC functionals and contributes to the development of more accurate models for spin-sensitive systems.Jeeno Jose
Jeeno Jose
Dr.
Jeeno
Jose
Jeeno Jose conducts his postdoctoral research in the Tamar Stein group in the Fritz Haber Center for Molecular Dynamics in the Hebrew University of Jerusalem. His research interests encompass understanding fundamental materials behaviour using ab-inito and classical molecular dynamics simulations, as well as developing machine learning pathways to accelerate molecular dynamics simulations. Before joining the Tamar Stein group, Jeeno received both Masters and Ph.D. from the Indian Institute of Technology Madras, India, for his research in solid-polymer interface mechanical behaviour using classical molecular dynamics in the research group of Dr. Narasimhan Swaminathan.