Closed-loop platforms that drive chemical discovery
through automated hypothesis generation,
refinement, validation, and revision
We focus on a central problem in chemistry and engineering:
How to quantitatively predict the reactivity of chemical systems?
Computing accurate properties of chemical species considering conjugated internal rotations
3D reaction transition states searches
Automating chemical kinetic model refinement and revision based on quantum-chemical computations
Developing computational and experimental approaches to accelerate R&D in the chemical sciences
Enabling autonomous discovery: closed-loop platforms combining software and hardware to drive the discovery of processes through automated hypothesis generation, refinement, validation, and revision
Shelf life predictions of pharmaceuticals
Designing robust fuel cell membranes
Understanding combustion of alternative fuels such as ammonia and bio-fuels
Developing advanced areal and space propulsion fuels
MEET THE TEAM
Asst. Prof. Alon Grinberg Dana
Alon has a BSc in Biochemical Engineering ('10)
and a PhD in Energy Engineering ('15), both from the Technion.
He was a Postdoctoral Researcher at MIT ('15-'20),
and opened his Technion group in 2020.
Joined the group in November 2022. His research focuses on combining modeling and experimental approaches.
Joined the group in May 2023. His research focuses on simulating electrochemical cells.
Lilach Naamat (PhD)
Joined the group in October 2022. Her research focuses on optimizing the building blocks of anionic exchange membranes for fuel cells.
Antonio Mayoral Chavando (PhD)
Antonio joined the group in June 2023 co-supervised by Instituto Politécnico de Portalegre. His research focuses on ammonia usage for stationary power.
Joined the group in September 2021. Her research focuses on automated chemical model revision.
Joined the group in December 2020. His research focuses on efficient partition function computations for complex chemical systems.
Michal Keslin (MSc)
Joined the group in March 2021. Her research focuses on modelling satellite in-orbit thruster engine fuel oxidation and jet fuel pyrolysis.
Sharon Haba (MSc)
Joined the group in December 2020. Her research focuses on modelling the shelf life of pharmaceutical drugs.
José María Velasco
Joined the group in April 2021. His research focuses on automated modeling of ammonia combustion.
Leen Fahoum (MSc)
Joined the group in June 2023. Her research focuses on automated retrosynthesis pathways.
Benjamin Shugaev (MSc)
Joined the group in June 2023. His research focuses on applying computational tools to nano-particles for targeted drug delivery.
& Research Assistant
We also disseminate our work through high-quality open-source software packages that our group develops and maintains
ARC: THE AUTOMATED RATE CALCULATOR
A tool for automating electronic structure calculation and attaining thermo-kinetic data relevant for chemical kinetic modelling.
T3: THE TANDOM TOOL
The Tandom Tool (T3) is a software package that performs automated kinetic model generation and refinement.
TCKDB: THEORETICAL CHEMICAL KINETICS DATABSE
Supports the international chemical kinetics community by addressing a necessity to standardize data and make it conveniently available for all.
Join us to develop together a new platform technology and get invaluable experience and skill in advanced computation tools. Fee free to contact Alon to inquire about specific current open projects.
We are committed to creating a diverse environment and provide equal opportunity for all.
Running the wet lab, leading research projects and conducting independent research. Supporting students, writing scientific papers, protocols, and reports.
- MSc/PhD in Chemical Engineering or a related field
- Excellent English and Hebrew oral & written proficiency
- Experience in experimental lab work
- Excellent Management and organization skills
- Excellent interpersonal relations
Chemical kinetics, Reactor engineering, Heterogeneous catalysis
We are looking for excellent Graduate Students
(for MSc and PhD tracks) to lead exciting research projects.
Candidates should have:
- A BSc in Engineering or Physical Sciences
- A working style that demonstrates initiative
- Willingness to take on considerable individual responsibility
- The ability to work effectively in a teaming environment
Candidates should submit a CV, a brief statement of research interests, a letter of intent and a copy of their transcripts.
Interested postdocs with experience in chemical kinetics and/or computational chemistry are invite to submit a CV, a brief statement of research interests, a letter of intent, and selected relevant publications.
Undergraduate students from the Technion looking for research opportunities (for credit) are welcome to contact us.
This is an excellent opportunity to intimately familiarize yourself with a team before becoming a Graduate Student in our group.
MEDIA – GENERAL
MEDIA – TECHNICAL
Matthew S. Johnson, Alon Grinberg Dana, William H. Green,
Combustion and Flame 2023, 257(1), 112516
A. Grinberg Dana, M.S. Johnson, J.W. Allen, S. Sharma, S. Raman, M. Liu, C.W. Gao, C.A. Grambow, M.J. Goldman, D.S. Ranasinghe, R.J. Gillis, A.M. Payne, Y.-P Li, E.E. Dames, Z.J. Buras, N.M. Vandewiele, N.W. Yee, S.S. Merchant, B. Buesser, C.A. Class, C.F. Goldsmith, R.H. West, W.H. Green,
International Journal of Chemical Kinetics 2023, 55(6), 300-323
Matthew S. Johnson, Xiaorui Dong, Alon Grinberg Dana, Yunsie Chung, David Farina, Jr., Ryan J. Gillis, Mengjie Liu, Nathan W. Yee, Katrin Blondal, Emily Mazeau, Colin A. Grambow, A. Mark Payne, Kevin A. Spiekermann, Hao-Wei Pang, C. Franklin Goldsmith, Richard H. West, William H. Green,
Chemical Information 2022, 62(20), 4906–4915
H. Wu, A. Grinberg Dana, D.S. Ranasinghe, F.C. Pickard, G.P.F. Wood, T. Zelesky, G.W. Sluggett, J. Mustakis, W.H. Green,
Molecular Pharmaceutics 2022, 19(5), 1526–1539
J.S. Cardoso, V. Silva, D. Eusebio, L.A.C. Tarelho, M.J. Hall, A. Grinberg Dana,
Energy Conversion and Management 2022, 254(15), 115226
A. Grinberg Dana, H. Wu, D.S. Ranasinghe, F.C. Pickard, G.P.F. Wood, T. Zelesky, G.W. Slugget, J. Mustakis, W.H. Green,
Molecular Pharmaceutics 2021, 18(8), 3037–3049
M. Liu, A. Grinberg Dana, M.S. Johnson, M.J. Goldman, A. Jocher, A.M. Payne, C.A. Grambow, K. Han, N.W. Yee, E.J. Mazeau, K. Blondal, R.H. West, C.F. Goldsmith, W.H. Green,
Journal of Chemical Information and Modeling 2021, 61(6), 2686–2696
O. Elishav, B. Mosevitzky Lis, E.M. Miller, D.J. Arent, A. Valera-Medina,
A. Grinberg Dana, G.E. Shter, G.S. Grader,
Chemical Reviews 2020, 120(12), 5352–5436
A. Grinberg Dana, K.B. Moore, A.W. Jasper, W.H. Green,
The Journal of Physical Chemistry A 2019, 123(22), 4679–4692
H. Zhao, A. Grinberg Dana, Z. Zhang, W.H. Green, Y. Ju,
Energy 2018, 165(B), 727–738
A. Naor, D. Michaels, A. Grinberg Dana,
56th AIAA Aerospace Sciences Meeting, AIAA SciTech Forum, (AIAA 2018-0138) 2018
A. Grinberg Dana, S. Gudiyella, W.H. Green, S.J. Shanbhogue, D. Michaels, N.W. Chakroun, A. Ghoniem,
55th AIAA Aerospace Sciences Meeting, AIAA SciTech Forum, (AIAA 2017–0835) 2017
M. Starostin, A. Grinberg Dana, O. Dinner, G.E. Shter, G.S. Grader,
Oxidation of Metals 2016, 87(1-2), 39–56
A. Grinberg Dana, O. Elishav, A. Bardow, G.E. Shter, G.S. Grader,
Angewandte Chemie 2016, 55, 8798–88058
Highlighted in: ChemInform 2016, 47(38)
A. Grinberg Dana, M. Starostin, G.E. Shter, A. Buk, O. Dinner, G.S. Grader,
Oxidation of Metals 2014, 82(5-6), 491–508