| Issue Date | Title | Author(s) |
| 23-Apr-2022 | 2D Janus and non-Janus diamanes with an in-plane negative Poisson's ratio for energy applications | Singh, D.; Khossossi, N.; Luo, W.; Ainane, A.; Ahuja, R. |
| 9-Dec-2022 | Electronic topological transitions and mechanical properties of hafnium dioxide allotrope at high pressure: Evolutionary first-principles techniques | Bovornratanaraks, T.; Ahuja, R.; Luo, W.; Tsuppayakorn-aek, P. |
| 25-Oct-2021 | Enhanced overall water splitting under visible light of MoSSe∣WSSe heterojunction by lateral interfacial engineering | Yang, X.; Wärnå, J. P. A.; Wang, J.; Zhang, P.; Luo, W.; Ahuja, R. |
| 22-Sep-2022 | Existence of yttrium allotrope with incommensurate host–guest structure at moderate pressure: First evidence from computational approach | Tsuppayakorn-aek, P.; Bovornratanaraks, T.; Ahuja, R.; Bovornratanaraks, T.; Luo, W. |
| 17-Jul-2022 | Flexible 3D porous boron nitride interconnected network as a high-performance Li-and Na-ion battery electrodes | Khossossi, N.; Singh, D.; Luo, W.; Ahuja, R. |
| 4-May-2022 | High-capacity reversible hydrogen storage properties of metal-decorated nitrogenated holey graphenes | Anikina, E.; Naqvi, S.R.; Bae, H.; Lee, H.; Luo, W.; Ahuja, R.; Hussain, T. |
| 22-Sep-2022 | High-Pressure Structural Transformation Pathway and Electronic Properties of AgGaTe2: Ab Initio Evolutionary Structural Searching | Kotmool, K.; Tsuppayakorn-aek, P.; Luo, W.; Ahuja, R.; Bovornratanaraks, T. |
| 30-Oct-2022 | Lattice dynamic stability and electronic structures of ternary hydrides La1 xYxH3 via first-principles cluster expansion | Tsuppayakorn-aek, P.; Sukmas, W.; Pluengphon, P.; Inceesungvorn, B.; Phansuke, P.; Kaewtubtim, P.; Ahuja, R.; Bovornratanaraks, T.; Luo, W. |
| 18-Nov-2022 | Network analysis reveals that the tumor suppressor lncRNA GAS5 acts as a double‑edged sword in response to DNA damage in gastric cancer | Gupta, S.; Panda, P.K.; Luo, W.; Hashimoto, R.F.; Ahuja, R. |
| 6-May-2024 | Phonon-mediated superconductivity in compounds: a crystal prediction via cluster expansion and particle-swarm optimization | Tsuppayakorn-aek, P.; Luo, W.; Ahuja, R.; Bovornratanaraks, T. |
| 25-Nov-2022 | Promise and reality of organic electrodes from materials design and charge storage perspective | Banerjee, A.; Khossossi, N.; Luo, W.; Ahuja, R. |
| 23-Apr-2022 | Revealing the superlative electrochemical properties of o-B2N2 monolayer in Lithium/Sodium-ion batteries | Khossossi, N.; Luo, W.; Haman, Z.; Singh, D.; Essaoudi, I.; Ainane, A.; Ahuja, R. |
| 27-Sep-2022 | Strong Optical Excitation and High ThermoelectricPerformance in 2D Holey-Phosphorene Monolayer | Khossoss, N.; Singh, D.; Luo, W.; Ahuja, R. |
| 25-Oct-2021 | Structural predictions of superconducting phase in tungsten ditellurides WTe2 from first-principles evolutionary techniques under high pressure | Tsuppayakorn-aek, P.; Ektarawong, A.; Jimlim, P.; Kanchanavatee, N.; Ahuja, R.; Luo, W.; Bovornratanaraks, T. |
| 13-Oct-2024 | Superconducting state of the van der Waals layered PdH2 structure at high pressure | Tsuppayakorn-aek, P.; Majumdar, A.; Ahuja, R.; Bovornratanaraks, T.; Luo, W. |
