@article{CTT100907161, author = {Ruicheng Li and G. Budiutama and S. Manzhos and M. Ihara}, title = {Hybrid DFTB – Molecular Mechanics approach: applicability to optical properties}, journal = {Proceeding of 34th IUPAP Conference on Computational Physics (CCP2023), Springer Proceedings in Physics}, year = 2023, } @article{CTT100898778, author = {G. Budiutama and Ruicheng and M. Ihara* and S. Manzhos*}, title = {Hybrid Density Functional Tight Binding (DFTB) – molecular mechanics approach for a low-cost expansion of DFTB applicability}, journal = {Journal of Chemical Theory and Computation}, year = 2023, } @inproceedings{CTT100925712, author = {前田 佳亮 and Li Ruicheng and 亀田 恵佑 and Manzhos Sergei and 伊原 学}, title = {第一原理計算を用いた材料インフォマティクスにおける ペロブスカイト太陽電池の炭素系材料の検討}, booktitle = {}, year = 2024, } @inproceedings{CTT100914372, author = {Ruicheng Li and Gekko Budiutama and Keisuke Kameda and Sergei Manzhos and Manabu Ihara}, title = {Exploring The Application of Hybrid DFTB-Molecular Mechanics Approach to Computing Optical Properties}, booktitle = {}, year = 2024, } @inproceedings{CTT100914376, author = {Ruicheng Li and Keisuke Maeda and Man-Fai Ng and Keisuke Kameda and Sergei Manzhos and Manabu Ihara}, title = {Exploring Carbon Nanoflake Based Materials for Charge Transport Layers of Perovskite Solar Cells: A Combined DFT-DFTB Study Including Effects of Solid-State Packing}, booktitle = {}, year = 2024, } @inproceedings{CTT100909978, author = {Ruicheng Li and Keisuke Maeda and Man-Fai Ng and Keisuke Kameda and Sergei Manzhos and Manabu Ihara}, title = {Exploring Electronic Properties of Carbon Nanoflake-Based Materials for Charge Transport Layers in Perovskite Solar Cells: Insight from Solid-state Modelling}, booktitle = {}, year = 2024, } @inproceedings{CTT100907853, author = {Ruicheng Li and Keisuke Kameda and Sergei Manzhos and Manabu Ihara}, title = {Carbon Nanoflake Based Materials for Charge Transport Layers of Perovskite Solar Cells: Insight from Atomistic Modeling into Nanosizing and Functionalization Suitable for Electron and Hole Transport}, booktitle = {}, year = 2023, } @inproceedings{CTT100900978, author = {Gekko Budiutama and Ruicheng Li and Sergei Manzhos and Manabu Ihara}, title = {Combining Density Functional Tight Binding (DFTB) with empiric potentials for large-scale semiempirical materials modeling}, booktitle = {}, year = 2023, } @inproceedings{CTT100867440, author = {Li Ruicheng and Hasegawa Kei and Manzhos Sergei and Ihara Manabu and Waki Keiko}, title = {Investigating the Structural Change of PbI2-rich Perovskite Solar Cells After Storage}, booktitle = {}, year = 2022, }