| 140件の論文が見つかりました。論文は出版年月日順に表示しています。（ヘルプ） | |
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| Zainab Fatima, Isao Ohkubo, Satoshi Ishii, Takahiro Nagata, Takashi Aizawa, Takao Mori. Overcoming surface energy to control Cu3N epitaxial growth. The Journal of Chemical Physics. 163 [23] (2025) 234712 10.1063/5.0300710 Open Access | |
| Kousuke Nakano, Sandro Sorella, Michele Casula. Load-balanced diffusion Monte Carlo method with lattice regularization. The Journal of Chemical Physics. 163 [19] (2025) 194117 10.1063/5.0296986 Open Access | |
| Flaviano Della Pia, Benjamin X. Shi, Yasmine S. Al-Hamdani, Dario Alfé, Tyler A. Anderson, Matteo Barborini, Anouar Benali, Michele Casula, Neil D. Drummond, Matúš Dubecký, Claudia Filippi, Paul R. C. Kent, Jaron T. Krogel, Pablo López Ríos, Arne Lüchow, Ye Luo, Angelos Michaelides, Lubos Mitas, Kousuke Nakano, Richard J. Needs, Manolo C. Per, Anthony Scemama, Jil Schultze, Ravindra Shinde, Emiel Slootman, Sandro Sorella, Alexandre Tkatchenko, Mike Towler, C. J. Umrigar, Lucas K. Wagner, William A. Wheeler, Haihan Zhou, Andrea Zen. Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer. The Journal of Chemical Physics. 163 [10] (2025) 104110 10.1063/5.0272974 Open Access | |
| Mikio Ito, Hidenori Noguchi, Kohei Uosaki. Effect of para-substituents on NC bonding of aryl isocyanide molecules adsorbed on metal surfaces studied by sum frequency generation (SFG) spectroscopy. The Journal of Chemical Physics. 161 [20] (2024) 204703 10.1063/5.0236548 Open Access | |
| Atsushi Togo, Atsuto Seko. On-the-fly training of polynomial machine learning potentials in computing lattice thermal conductivity. The Journal of Chemical Physics. 160 [21] (2024) 211001 10.1063/5.0211296 Open Access | |
| Aaditya Manjanath, Ryoji Sahara, Kaoru Ohno, Yoshiyuki Kawazoe. Non-adiabatic excited-state time-dependent GW molecular dynamics (TDGW) satisfying extended Koopmans’ theorem: An accurate description of methane photolysis. The Journal of Chemical Physics. 160 [18] (2024) 184102 10.1063/5.0202590 Open Access | |
| Xiong Wang, Zemeng Lin, Kenji Watanabe, Takashi Taniguchi, Wang Yao, Shuang Zhang, Xiaodong Cui. Near-field coupling of interlayer excitons in MoSe2/WSe2 heterobilayers to surface plasmon polaritons. The Journal of Chemical Physics. 160 [14] (2024) 141103 10.1063/5.0201383 | |
| Evgeny Posenitskiy, Vijay Gopal Chilkuri, Abdallah Ammar, Michał Hapka, Katarzyna Pernal, Ravindra Shinde, Edgar Josué Landinez Borda, Claudia Filippi, Kosuke Nakano, Otto Kohulák, Sandro Sorella, Pablo de Oliveira Castro, William Jalby, Pablo López Ríos, Ali Alavi, Anthony Scemama. TREXIO: A file format and library for quantum chemistry. The Journal of Chemical Physics. 158 [17] (2023) 174801 10.1063/5.0148161 Open Access | |
| Kousuke Nakano, Oto Kohulák, Abhishek Raghav, Michele Casula, Sandro Sorella. TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods. The Journal of Chemical Physics. 159 [22] (2023) 224801 10.1063/5.0179003 Open Access | |
| Hung Cuong Dinh, Ganesan Elumalai, Hidenori Noguchi, Andrey Lyalin, Tetsuya Taketsugu, Kohei Uosaki. Size dependent electrocatalytic activities of h-BN for oxygen reduction reaction to water. The Journal of Chemical Physics. 158 [13] (2023) 134713 10.1063/5.0142527 | |
