Postdoctoral researchers
Best fit for candidates who can lead a concrete materials question, write clearly, and connect mechanisms to high-quality publications.
Members
Current group
The Inverse Materials Design group is a focused computational materials team working on hard-carbon anodes, ion-carbon interactions, machine-learning potentials, and first-principles design rules that can be tested by experimental partners.
Current Members
Researchers in the current program
Current work is centered on carbon anodes, electrolyte materials, ion storage mechanisms, local chemistry, and workflow development for first-principles, molecular-dynamics, and machine-learning-based materials modeling.
Dr. Ihor Radchenko
Postdoctoral researcher, Ensemble3, Poland - September 2024 - present
Ihor received his PhD from the Singapore University of Technology and Design in 2018 and later
conducted research at Xi'an Jiaotong University. In the group, he develops theoretical descriptions
of hard-carbon anode materials for Na-ion batteries.
Papers and outputs (4)
Dr. Ihor Radchenko
Postdoctoral researcher, Ensemble3, Poland - September 2024 - presentIhor received his PhD from the Singapore University of Technology and Design in 2018 and later conducted research at Xi'an Jiaotong University. In the group, he develops theoretical descriptions of hard-carbon anode materials for Na-ion batteries.
Papers and outputs (4)Publications and manuscripts
- H. Du, H. Gong, I. Radchenko, Y. Tang*, O. I. Malyi*. Interchain bottlenecks and helical-channel pathways as the origin of low Li⁺ conductivity in crystalline PEO. Physical Chemistry Chemical Physics, 2026 (*corresponding authors).
- I. Radchenko, O. I. Malyi*. Rational design principles for Na- and Li-ion carbon anodes from interlayer spacing control. PRX Energy, 2026, 5, 023010 (*corresponding author).
- F. Wang, L. Chen, F. Li, Y. Zheng, J. Wei, C. Diao, I. Radchenko, J. Shi, L. Li, J. Wang, Z. Bai, Y. Zhang, O. I. Malyi*, X. Chen, Y. Tang*. Lattice reconstruction strategy for fast-charging plateau-type hard carbon anodes in ultra-long-life sodium-ion batteries. Energy & Environmental Science, 2026, 19, 3640–3652 (*corresponding authors; leading theory author).
- O. I. Malyi†, K. V. Sopiha†, I. Radchenko, P. Wu, C. Persson. Tailoring electronic properties of multilayer phosphorene by siliconization. Physical Chemistry Chemical Physics, 2018, 20, 2075–2083 (†equal contribution).
Dr. Andrés Felipe Usuga
Postdoctoral researcher, Ensemble3, Poland - November 2025 - present
Andrés received his PhD from the Autonomous University of Barcelona in 2025. His work in the group
focuses on hard-carbon materials for Na-ion batteries and the transferability of machine-learning
models for complex carbon chemistry.
Papers and outputs (1)
Dr. Andrés Felipe Usuga
Postdoctoral researcher, Ensemble3, Poland - November 2025 - presentAndrés received his PhD from the Autonomous University of Barcelona in 2025. His work in the group focuses on hard-carbon materials for Na-ion batteries and the transferability of machine-learning models for complex carbon chemistry.
Papers and outputs (1)Publications and manuscripts
- O. I. Malyi*, A. F. Usuga. Transferability of foundation MACE models to amorphous chemistry: where they work and where they fail. Journal of Non-Crystalline Solids, accepted (*corresponding author).
Dr. Gabriel Kuderowicz
Postdoctoral researcher, Ensemble3, Poland - May 2026 - present
Gabriel joined the group after completing his PhD at AGH University of Krakow. His current work
focuses on hard-carbon electrode materials for sodium-ion batteries.
Papers and outputs
Dr. Gabriel Kuderowicz
Postdoctoral researcher, Ensemble3, Poland - May 2026 - presentGabriel joined the group after completing his PhD at AGH University of Krakow. His current work focuses on hard-carbon electrode materials for sodium-ion batteries.
Papers and outputsPublications and manuscripts
No group publications or manuscripts are listed in the current record.
Du He
PhD student, Fuzhou University/Qingyuan Innovation Laboratory, China - September 2024 - present
Du He is a PhD student at Fuzhou University/Qingyuan Innovation Laboratory, co-supervised with
Prof. Yuxin Tang. His project focuses on inverse design of electrolyte materials.
Papers and outputs (4)
Du He
PhD student, Fuzhou University/Qingyuan Innovation Laboratory, China - September 2024 - presentDu He is a PhD student at Fuzhou University/Qingyuan Innovation Laboratory, co-supervised with Prof. Yuxin Tang. His project focuses on inverse design of electrolyte materials.
Papers and outputs (4)Publications and manuscripts
- Y. Liu, Y. Chen, Y. Fan, H. Du, Y. Zhang*, O. I. Malyi*, Y. Tang*. Copolymerized Flame-Retardant Plastic-Crystal Electrolyte for Solid-State Lithium-Ion Batteries. submitted (*corresponding authors).
- H. Du, Y. Chen, Y. Tang*, O. I. Malyi*. Mechanism-Guided Inverse Electrolyte Design for Advanced Metal-Ion Batteries. Advanced Functional Materials, 2026, doi: 10.1002/adfm.78308 (*corresponding authors).
- H. Du, H. Gong, I. Radchenko, Y. Tang*, O. I. Malyi*. Interchain bottlenecks and helical-channel pathways as the origin of low Li⁺ conductivity in crystalline PEO. Physical Chemistry Chemical Physics, 2026 (*corresponding authors).
- J. Li, J. Long, H. Du, J. Wang, W. Zhao, H. Gong, W. Zou, F. Wang, J. Shi, Y. Zhang*, Z. Bai, O. I. Malyi*, Y. Tang*. Breaking diffusion limit in ester-flame-proof Na-ion electrolytes through solvent coordination chemistry. Angewandte Chemie International Edition, 2025, 64, e202512950 (*corresponding authors).
Zheng Yongben
Master student, Fuzhou University/Qingyuan Innovation Laboratory, China - September 2024 - present
Zheng Yongben is a master student at Fuzhou University/Qingyuan Innovation Laboratory. His work uses
electronic-structure theory to design new electrode materials for metal-ion batteries.
Papers and outputs (1)
Zheng Yongben
Master student, Fuzhou University/Qingyuan Innovation Laboratory, China - September 2024 - presentZheng Yongben is a master student at Fuzhou University/Qingyuan Innovation Laboratory. His work uses electronic-structure theory to design new electrode materials for metal-ion batteries.
Papers and outputs (1)Publications and manuscripts
- F. Wang, L. Chen, F. Li, Y. Zheng, J. Wei, C. Diao, I. Radchenko, J. Shi, L. Li, J. Wang, Z. Bai, Y. Zhang, O. I. Malyi*, X. Chen, Y. Tang*. Lattice reconstruction strategy for fast-charging plateau-type hard carbon anodes in ultra-long-life sodium-ion batteries. Energy & Environmental Science, 2026, 19, 3640–3652 (*corresponding authors; leading theory author).
Chen Yichao
Master student, Fuzhou University/Qingyuan Innovation Laboratory, China - September 2024 - present
Chen Yichao is a master student at Fuzhou University/Qingyuan Innovation Laboratory, co-supervised
with Prof. Yuxin Tang. His project uses electronic-structure theory to design new electrode materials
for metal-ion batteries.
Papers and outputs (2)
Chen Yichao
Master student, Fuzhou University/Qingyuan Innovation Laboratory, China - September 2024 - presentChen Yichao is a master student at Fuzhou University/Qingyuan Innovation Laboratory, co-supervised with Prof. Yuxin Tang. His project uses electronic-structure theory to design new electrode materials for metal-ion batteries.
Papers and outputs (2)Publications and manuscripts
- Y. Liu, Y. Chen, Y. Fan, H. Du, Y. Zhang*, O. I. Malyi*, Y. Tang*. Copolymerized Flame-Retardant Plastic-Crystal Electrolyte for Solid-State Lithium-Ion Batteries. submitted (*corresponding authors).
- H. Du, Y. Chen, Y. Tang*, O. I. Malyi*. Mechanism-Guided Inverse Electrolyte Design for Advanced Metal-Ion Batteries. Advanced Functional Materials, 2026, doi: 10.1002/adfm.78308 (*corresponding authors).
Yang Quangang
Master student, Fuzhou University/Qingyuan Innovation Laboratory, China - September 2024 - present
Yang Quangang is a master student at Fuzhou University/Qingyuan Innovation Laboratory, co-supervised
with Prof. Yuxin Tang. He focuses on hard-carbon electrode materials for metal-ion batteries.
Papers and outputs
Yang Quangang
Master student, Fuzhou University/Qingyuan Innovation Laboratory, China - September 2024 - presentYang Quangang is a master student at Fuzhou University/Qingyuan Innovation Laboratory, co-supervised with Prof. Yuxin Tang. He focuses on hard-carbon electrode materials for metal-ion batteries.
Papers and outputsPublications and manuscripts
No group publications or manuscripts are listed in the current record.
Wei Xiangzai
Master student, Fuzhou University/Qingyuan Innovation Laboratory, China - September 2024 - present
Wei Xiangzai is a master student at Fuzhou University/Qingyuan Innovation Laboratory, co-supervised
with Prof. Yuxin Tang. His work applies electronic-structure theory to design new electrode materials
for metal-ion batteries.
Papers and outputs
Wei Xiangzai
Master student, Fuzhou University/Qingyuan Innovation Laboratory, China - September 2024 - presentWei Xiangzai is a master student at Fuzhou University/Qingyuan Innovation Laboratory, co-supervised with Prof. Yuxin Tang. His work applies electronic-structure theory to design new electrode materials for metal-ion batteries.
Papers and outputsPublications and manuscripts
No group publications or manuscripts are listed in the current record.
Hong Xin
Master student, Fuzhou University/Qingyuan Innovation Laboratory, China - October 2025 - present
Hong Xin is a master student at Fuzhou University/Qingyuan Innovation Laboratory, co-supervised with
Prof. Yuxin Tang. Hong Xin works on AI methods for metal-ion batteries.
Papers and outputs
Hong Xin
Master student, Fuzhou University/Qingyuan Innovation Laboratory, China - October 2025 - presentHong Xin is a master student at Fuzhou University/Qingyuan Innovation Laboratory, co-supervised with Prof. Yuxin Tang. Hong Xin works on AI methods for metal-ion batteries.
Papers and outputsPublications and manuscripts
No group publications or manuscripts are listed in the current record.
Tang Zhipeng
Master student, Fuzhou University/Qingyuan Innovation Laboratory, China - October 2025 - present
Tang Zhipeng is a master student at Fuzhou University/Qingyuan Innovation Laboratory, co-supervised
with Prof. Yuxin Tang. Tang Zhipeng works on AI methods for metal-ion batteries.
Papers and outputs
Tang Zhipeng
Master student, Fuzhou University/Qingyuan Innovation Laboratory, China - October 2025 - presentTang Zhipeng is a master student at Fuzhou University/Qingyuan Innovation Laboratory, co-supervised with Prof. Yuxin Tang. Tang Zhipeng works on AI methods for metal-ion batteries.
Papers and outputsPublications and manuscripts
No group publications or manuscripts are listed in the current record.
Chen Jiale
Master student, Fuzhou University/Qingyuan Innovation Laboratory, China - October 2025 - present
Chen Jiale is a master student at Fuzhou University/Qingyuan Innovation Laboratory, co-supervised
with Prof. Yuxin Tang. Chen Jiale works on AI methods for metal-ion batteries.
Papers and outputs
Chen Jiale
Master student, Fuzhou University/Qingyuan Innovation Laboratory, China - October 2025 - presentChen Jiale is a master student at Fuzhou University/Qingyuan Innovation Laboratory, co-supervised with Prof. Yuxin Tang. Chen Jiale works on AI methods for metal-ion batteries.
Papers and outputsPublications and manuscripts
No group publications or manuscripts are listed in the current record.
Feng Shaopeng
Master student, Fuzhou University/Qingyuan Innovation Laboratory, China - October 2025 - present
Feng Shaopeng is a master student at Fuzhou University/Qingyuan Innovation Laboratory, co-supervised
with Prof. Yuxin Tang. Feng Shaopeng works on AI methods for metal-ion batteries.
Papers and outputs
Feng Shaopeng
Master student, Fuzhou University/Qingyuan Innovation Laboratory, China - October 2025 - presentFeng Shaopeng is a master student at Fuzhou University/Qingyuan Innovation Laboratory, co-supervised with Prof. Yuxin Tang. Feng Shaopeng works on AI methods for metal-ion batteries.
Papers and outputsPublications and manuscripts
No group publications or manuscripts are listed in the current record.
Joining the Group
What kind of researchers fit here
Openings depend on project funding and are reviewed regularly. Strong applicants usually combine curiosity, careful computational practice, and a willingness to connect calculations to experimental questions.
PhD and visiting students
Best fit for students interested in solid-state physics, first-principles calculations, Python workflows, and reproducible computational research.
Collaborative projects
Best fit for experimental or theory partners who need atomic mechanisms, descriptors, or design rules for materials that are already being tested.