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You can search NIMS articles by Clarivate ESI category (Materials Science, Physics, Chemistry, Engineering, Biology and etc.), title and terms from abstract.

Last updated: October 06, 2026

160 article(s) found. Sorted by publication dates. (Help)
  • Shuhei Yamada, Katsuhiko Ariga, Taka-aki Ishibashi. Hydrogen-bonded supramolecular assembly of didodecylmelamine and thymine at the air/water interface studied by heterodyne-detected vibrational sum frequency generation. The Journal of Chemical Physics. 165 [12] (2026) 124907 10.1063/5.0350367 Open Access
  • Kousuke Nakano, Benjamin X. Shi, Dario Alfè, Andrea Zen. Improving the accuracy of fixed-node diffusion Monte Carlo for non-covalent interactions. The Journal of Chemical Physics. 165 [12] (2026) 124102 10.1063/5.0348824 Open Access
  • Qiming Sun, Matthew R. Hermes, Xiaojie Wu, Huanchen Zhai, Xing Zhang, Abdelrahman M. Ahmed, Juan José Aucar, Oliver J. Backhouse, Samragni Banerjee, Peng Bao, Nikolay A. Bogdanov, Kyle Bystrom, Frédéric Chapoton, Ning-Yuan Chen, Ivan Yu. Chernyshov, Helen S. Clifford, Sander Cohen-Janes, Zhi-Hao Cui, Yann D. Damour, Nike Dattani, Linus Bjarne Dittmer, Sebastian Ehlert, Janus Juul Eriksen, Francesco A. Evangelista, Simon A. Ewing, Ardavan Farahvash, Kevin Focke, Yang Gao, Kevin E. Gasperich, Nathan Gillispie, Jonas Greiner, Matthew R. Hennefarth, Jan Hermann, Christopher Hillenbrand, Joonatan Huhtasalo, Basil Ibrahim, Bhavnesh Jangid, Alireza Nejati Javaremi, Andrew J. Jenkins, Yu Jin, Daniel S. King, Derk Pieter Kooi, Jo S. Kurian, Henrik R. Larsson, Bryan Tak Gwong Lau, Seunghoon Lee, Susi Lehtola, Chenghan Li, Hao Li, Jiachen Li, Rui Li, Shuhang Li, Aleksandr O. Lykhin, Ankit Mahajan, Nastasia Mauger, Pablo del Mazo-Sevillano, Jonathan Moussa, Kousuke Nakano, Verena A. Neufeld, Linqing Peng, Hung Q. Pham, Peter Pinski, Pavel Pokhilko, Zhichen Pu, Yubing Qian, Stephen Jon Quiton, Wanja T. Schulze, Thais R. Scott, Aniruddha Seal, James D. Serna, James E. T. Smith, Kori E. Smyser, Terrence Stahl, Chong Sun, Kevin J. Sung, Egor Trushin, Shiv Upadhyay, Ethan A. Vo, Thijs Vogels, Shirong Wang, Tai Wang, Xiao Wang, Xubo Wang, Yuanheng Wang, Mark Williamson, Junjie Yang, Hong-Zhou Ye, Chia-Nan Yeh, Haiyang Yu, Jincheng Yu, Victor Wen-zhe Yu, Chaoqun Zhang, Dayou Zhang, Yichi Zhang, Zijun Zhao, Zehao Zhou, Andrew J. Zhu, Tianyu Zhu, Timothy C. Berkelbach, Laura Gagliardi, Sandeep Sharma, Alexander Yu. Sokolov, Garnet Kin-Lic Chan. The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project. The Journal of Chemical Physics. 165 [10] (2026) 102502 10.1063/5.0337441 Open Access
  • Yuansheng Zhao, Masami Nirei, Yuki Mizuno, Koji Ohara, Shinji Kohara, Osamu Yamamuro. Synchrotron x-ray diffraction study of liquid and glassy toluene. The Journal of Chemical Physics. 164 [21] (2026) 214501 10.1063/5.0331267 Open Access
  • Kousuke Nakano, Stefano Battaglia, Jürg Hutter. Fast evaluation of unbiased atomic forces in ab initio variational Monte Carlo via the Lagrangian technique. The Journal of Chemical Physics. 164 [12] (2026) 124113 10.1063/5.0311160 Open Access
  • 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
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