Half-metallic properties for the Ti2YZ (Y= Fe, Co, Ni, Z= Al, Ga, In) Heusler alloys: a first-principles study XP Wei, JB Deng, GY Mao, SB Chu, XR Hu Intermetallics 29, 86-91, 2012 | 131 | 2012 |
Titanium-embedded graphene as high-capacity hydrogen-storage media S Chu, L Hu, X Hu, M Yang, J Deng International journal of hydrogen energy 36 (19), 12324-12328, 2011 | 89 | 2011 |
Half-metallic ferrimagnetism in Mn2CuGe XP Wei, XR Hu, GY Mao, SB Chu, T Lei, LB Hu, JB Deng Journal of magnetism and magnetic materials 322 (20), 3204-3207, 2010 | 51 | 2010 |
A first principles study on the full-Heusler compound Mn2CuSb XP Wei, JB Deng, SB Chu, GY Mao, LB Hu, MK Yang, XR Hu Computational Materials Science 50 (3), 1175-1178, 2011 | 38 | 2011 |
Half-metallic ferrimagnetism in Full-Heusler alloy Mn2CuMg XP Wei, JB Deng, SB Chu, GY Mao, T Lei, XR Hu Journal of magnetism and magnetic materials 323 (1), 185-188, 2011 | 26 | 2011 |
Open space for the physisorption of H2: Cointercalation of graphite with Li, Ti metal atoms and ethylene molecules S Chu, X Hu, C Du, X Wu, Y Dai, L Hu, J Deng, Y Feng International journal of hydrogen energy 35 (3), 1280-1284, 2010 | 17 | 2010 |
First-principles study of properties of Mn2ZnMg alloy XP Wei, SB Chu, GY Mao, H Deng, T Lei, XR Hu Journal of magnetism and magnetic materials 323 (17), 2295-2299, 2011 | 15 | 2011 |
Effects of static correlation between spin centers in multicenter transition metal complexes S Chu, D Bovi, F Cappelluti, AG Orellana, H Martin, L Guidoni Journal of Chemical Theory and Computation 13 (10), 4675-4683, 2017 | 13 | 2017 |
Quantum Monte Carlo calculated potential energy curve for the helium dimer X Wu, X Hu, Y Dai, C Du, S Chu, L Hu, J Deng, Y Feng The Journal of chemical physics 132 (20), 2010 | 12 | 2010 |
A first principles study on the full-Heusler compound Mn2CuSi XP Wei, XR Hu, SB Chu, GY Mao, LB Hu, T Lei, JB Deng Physica B: Condensed Matter 406 (5), 1139-1142, 2011 | 11 | 2011 |
First-principles investigations of stability, electronic and thermodynamic properties of Ti2FeGe and Ti2FeSn XP Wei, GY Mao, SB Chu, H Deng, JB Deng, XR Hu Journal of magnetism and magnetic materials 341, 122-128, 2013 | 6 | 2013 |
First-principles study on the magnetic properties of six potential half-metallic ferromagnets: Alkaline-earth (Ca, Sr) doped XC (X= Si, Ge, Sn) XP Wei, JB Deng, H Deng, SB Chu, XR Hu Computational materials science 65, 1-5, 2012 | 6 | 2012 |
Benchmark Quantum Monte Carlo calculation of the enthalpy of formation of MgH2 G Mao, X Hu, X Wu, Y Dai, S Chu, J Deng International journal of hydrogen energy 36 (14), 8388-8391, 2011 | 6 | 2011 |
Role of electron correlation along the water splitting reaction S Chu, E Coccia, M Barborini, L Guidoni Journal of Chemical Theory and Computation 12 (12), 5803-5810, 2016 | 5 | 2016 |
Discovery of Magnesium-Aluminum Alloys by Generative Model and Automatic Differentiation Approach S Cheng, Z Li, H Zhang, X Yan, S Chu Modelling and Simulation in Materials Science and Engineering, 2024 | | 2024 |
A highly ductile carbon material made of triangle rings: A study of machine learning G Huang, L Zhang, S Chu, Y Xie, Y Chen Applied Physics Letters 124 (4), 2024 | | 2024 |
Revealing the Untapped Potential of Photocatalytic Overall Water Splitting in Metal Organic Frameworks C Wang, Y Wan, S Yang, Y Xie, S Chu, Y Chen, X Yan Advanced Functional Materials, 2313596, 2023 | | 2023 |
Algorithm Research on Detail and Contrast Enhancement of High Dynamic Infrared Images D Zhang, Y Liu, Y Zhao, J Liang, B Sun, S Chu Applied Sciences 13 (23), 12649, 2023 | | 2023 |
Supporting Information:“Geometry optimization of Multicenter Transition Metal clusters through Extended Broken Symmetry approach” S Chu, D Bovi, F Cappelluti, AG Orellana, H Martin, L Guidoni | | |