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Publication date Communities Collections Article title Author(s) Journal/Conference
12 May 2025 SERC Institute of High Performance Computing  Unveiling high-performance single-atom alloy catalysts for alkane dehydrogenation through DFT and machine learning synergy Haisong Feng, Zhen Ge, Yuan Deng, Pengxin Pu, Shiquan Zhao, Xin Song, Hao Yuan, Yaze Wu, Jing Yang, Yubing Si, Antonio Politano, Xin Zhang, Yong-Wei Zhang Journal of Catalysis
21 Feb 2025 SERC Institute of High Performance Computing  Slip system-resolved GNDs and SEDs: A multi-scale framework for predicting crack nucleation in single-crystal metals Zixu Guo, Xiaochong Lu, Chaitanya Paramatmuni, Huajian Gao, Fionn P.E. Dunne, Wentao Yan, Yong-Wei Zhang, Yilun Xu Acta Materialia
16 Dec 2024 SERC Institute of High Performance Computing  Revealing the Stability and Conductivity of 1D Structures in 2D Semiconducting Lattices Hangbo Zhou, Viacheslav Sorkin, Zhigen Yu, Yong-Wei Zhang The Journal of Physical Chemistry C
1 Dec 2024 SERC Institute of High Performance Computing  Impact of grain boundaries on the electronic properties and Schottky barrier height in MoS2@Au heterojunctions Viacheslav Sorkin, Hangbo Zhou, Zhi Gen Yu, Kah-Wee Ang, Yong-Wei Zhang Physical Chemistry Chemical Physics
15 Jul 2024 SERC Institute of High Performance Computing  Dual-phase polycrystalline crystal plasticity model revealing the relationship between microstructural characteristics and mechanical properties in additively manufactured maraging steel Jakub Mikula, Guglielmo Vastola, Yong-Wei Zhang International Journal of Plasticity
19 May 2024 SERC Institute of High Performance Computing  Unraveling the Hall-Petch to inverse Hall-Petch transition in nanocrystalline high entropy alloys under shock loading Wanghui Li, Meizhen Xiang, Zachary Howard Aitken, Shuai Chen, Yilun Xu, Xinyu Yang, Qingxiang Pei, Jian Wang, Xiaoyan Li, Guglielmo Vastola, Huajian Gao, Yong-Wei Zhang International Journal of Plasticity
22 Apr 2024 SERC Institute of High Performance Computing  An Atomically Resolved Schottky Barrier Height Approach for Bridging the Gap between Theory and Experiment at Metal–Semiconductor Heterojunctions Viacheslav Sorkin, Hangbo Zhou, Zhi Gen Yu, Kah-Wee Ang, Yong-Wei Zhang ACS Applied Materials & Interfaces
22 Apr 2024 SERC Institute of High Performance Computing  An Atomically Resolved Schottky Barrier Height Approach for Bridging the Gap between Theory and Experiment at Metal–Semiconductor Heterojunctions Viacheslav Sorkin, Hangbo Zhou, Zhi Gen Yu, Kah-Wee Ang, Yong-Wei Zhang ACS Applied Materials & Interfaces
5 Mar 2024 SERC Institute of High Performance Computing  The role of tool path on microstructure uniformity in large-format additive manufacturing: integrated thermo-metallurgical-mechanical approach Jakub Mikula, Rajeev Ahluwalia, Athanasius Louis Commillus, Kai Ren, Youxiang Chew, Guglielmo Vastola, Yong-Wei Zhang International Journal of Computer Integrated Manufacturing
19 Feb 2024 SERC Institute of High Performance Computing  Recent Advances in In-Memory Computing: Exploring Memristor and Memtransistor Arrays with 2D Materials Hangbo Zhou, Sifan Li, Kah-Wee Ang, Yong-Wei Zhang Nano-Micro Letters