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Ensemble3 sp. z o.o.

01-919  Warsaw
133 Wólczyńska St.

NIP 1182211096

KRS 0000858669 

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Next-Generation Energy Systems
Next-Generation Energy Systems

Many compounds can be synthesized in the laboratory, but there are way too many combinations to try via Edisonian experimentations (trial and error approach) to identify the most prospective materials for specific applications. This problem will be solved using the expertise of the theoretical group – the solid-state physics group focused on inverse materials design. Using deep knowledge of solid-state physics and first-principles theory, this group will develop a fundamental understanding of materials properties at the atomic level and correlate them with basic elemental quantities to define so-called principles of inverse design. Such design principles will be used to guide experimental research and to understand the fundamental physics of materials at the atomic level. Here, the primary focus will be given to understand materials realization (e.g., prediction synthesis conditions), and optoelectronic properties of quantum materials, doping physics, and tailoring materials properties in general. This group will also focus on the development of novel computational methods and high-throughput calculations, bringing novel expertise to the center. 

Dr. Asha Yadav

Dr. Asha Yadav

Postdoctoral Fellow

Asha received her Ph.D. from the Department of Physics, University of Mumbai, Mumbai, India in April, 2019. Before joining ENSEMBLE³ in August 2022, she was a postdoc at the Institute of Technology Bombay, India. Currently, Asha is working with inverse materials design of metal-ion batteries with a partial focus on 2d materials. 

Dr. Muhammad Rizwan Khan

Dr. Muhammad Rizwan Khan

Postdoctoral Fellow

Rizwan received his Ph.D. degree in theoretical physics from the Institute of Physics, Chinese Academy of Sciences, Beijing, China, in June 2022. After his Ph.D., he joined the Inverse Material Design group. His current research expertise is in the design of intrinsic transparent conductive oxides and new topological materials. 

Dr. Himanshu Joshi

Dr. Himanshu Joshi

Postdoctoral Fellow

After completing his Ph.D. in Condensed Matter Physics in December 2018 from Mizoram University, Himanshu worked as a Research Associate in the Condensed Matter Theory Research Lab, Kurseong, India and as an assistant Professor in the Department of Physics, St. Joseph's College, Darjeeling, India. His research interests include photovoltaic materials, thermoelectric compounds, superconductors, and partial interest in other electronic and optoelectronic-based 2d materials. 

Harshan Reddy Gopidi

Harshan Reddy Gopidi

PhD Student

Harshan obtained his BS-MS dual degree in science from the Indian Institute of Science Education and Research (IISER) Pune, Maharashtra, India, 2022. During his master's studies, he used first-principles methods to study the interface of Skutterudite and Niobium for thermoelectric applications. He is currently focused on the doping physics of quantum materials.

Lovelesh

Lovelesh

PhD student

Lovelesh received her Bachelor’s and Master’s degrees in Physics from Punjabi University, India and Indian Institute of Technology Ropar, India, respectively. She joined the Inverse Material Design group in September, 2022. Currently, she is working on the inverse materials design of solid-state electrolytes using first-principles methods. 

Dr. Oleksandr (Sasha) Malyi 

Dr. Oleksandr (Sasha) Malyi 

Group Leader

Sasha received his Ph.D. in 2013 from Nanyang Technological University in Singapore at the age of 25. After being a research fellow, research associate, and researcher at National University of Singapore, University of Oslo, Nanyang Technological University, and University of Colorado Boulder, he moved to ENSEMBLE³, where he established the Inverse Materials Design group. He is the author/co-author of 77 research papers published in leading international journals, including 7 papers in journals with impact factors over 20 and 23 papers in journals with impact factors over 10. 

Hassan Alipour

PhD Student

Hassan received his master’s degree in Energy Engineering from Shahid Beheshti University, Tehran, Iran. His research interests are focused on first-principles calculations of materials for energy conversion. He joined the Inverse Material Design group at ENSEMBLE³ in November 2022, where he is working on defects physics in degenerate gapped materials.

Hassan Alipour