- The Prize for Science and Technology of the Commendation for Science and Technology by the Minister of Education, Culture, Sports, Science and Technology
Hiromi Nakai, "元素戦略のための相対論的量子化学の研究".
- APCTCC7, Superior Oral Award
Yuya Nakajima, Junji Seino, Mike Schmidt, and Hiromi Nakai, "Implementation of efficient infinite-order two-component relativistic scheme into GAMESS".
- APCTCC7, Superior Poster Award
Masao Hayami, Junji Seino, and Hiromi Nakai, "Efficient Evaluation of Electron Repulsion Integral and its Derivative for Molecules Including Heavy Elements".
- The Chemical Society of Japan, The 33rd CSJ Award for Creative Work
Hiromi Nakai, "周期表を網羅する線形スケーリングな相対論的量子化学の構築".
- Pacifichem 2015, Student Poster Competition Award
Masahiko Nakano, "Relativistic open-shell Hartree-Fock theory with time-reversal symmetry".
- APCTCC6, Best Poster Award
Masahiko Nakano, Junji Seino, and Hiromi Nakai, "Development of Electron Correlation Theory Based on Spin-Dependent Two-Component Hamiltonian".
- APATCC, The 2011 Pople Medal
Hiromi Nakai, "Challenges Toward Practical Quantum Chemical Method".
- APCTCC5, Best Student Talk
Yasuhiro Ikabata and Hiromi Nakai, "Extension of Local Response Dispersion Method to Excited-State Calculation".
- APCTCC5, Poster Prize
Tomoko Akama, Akihiro Hiratsuka, Takuma Yagasaki, Shinji Saito, and Hiromi Nakai, "Analysis of electron dynamics described by real-time TDHF/TDDFT calculations".
- WATOC2008, Poster Award
Masato Kobayashi, "Linear-Scaling Correlated Quantum Chemical Calculations with Divide-and-Conquer Method".
- CCTCC-2001, Poster Award
Keitaro Sodeyama, Minoru Hoshino, and Hiromi Nakai, "Ab initio NO+MO study for intramolecular proton tunneling".