（感謝課程報告讓我年年炒冷飯（誤，首頁有照片就匿了

Computational Chemistry: Balance between Accuracy and Efficiency

——From Analytic Model, Numerical Simulation, to the Future of Quantum Concurrent Computation

（老師居然沒看見語法錯誤2333（不，是老師給面子（捂臉

References

  1. BotaoFan; RuishengZhang; JianhuaYao, Computer chemistry and molecular design. Higher Education Press: Beijing, 2009.
  2. NNSFC; CAS, Chinese Discipline Development Strategy: Theory and Computational Chemistry. Science Press: 2016 . (in Chinese)
  3. Aryasetiawan, F.; Miyake, T.; Terakura, K., Physical Review Letters 2002, 88 (16), 166401.
  4. Lester Jr W A, H. B. L., Annual Review of Physical Chemistry 1990, 41 (1), 283-311.
  5. Luchow, A.; Anderson, J. B., Annu Rev Phys Chem 2000, 51, 501-26.
  6. Sokolova, S.; Lüchow, A.; Anderson, J. B., Chemical Physics Letters 2000, 323 (3), 229-233.
  7. Gregory, J.; Clary, D.; Liu, K.; Brown, M.; Saykally, R. J. S., 1997, 275 (5301), 814-817.
  8. LeDell, E.; Prabhat; Zubarev, D. Y.; Austin, B.; Lester, W. A., Journal of Mathematical Chemistry 2012, 50 (7), 2043-2050.
  9. Behler, J.; Parrinello, M., Physical Review Letters 2007, 98 (14), 146401.
  10. Raff, L. M.; Malshe, M.; Hagan, M.; Doughan, D. I.; Rockley, M. G.; Komanduri, R., The Journal of chemical physics 2005, 122 (8), 84104.
  11. Chen, X.; Jorgensen, M. S.; Li, J.; Hammer, B., Journal of Chemical Theory and Computation 2018, 14 (7), 3933-3942.
  12. Bartók, A. P.; Kondor, R.; Csányi, G., Physical Review B 2013, 87 (18).
  13. Zhai, H.; Alexandrova, A. N., J Chem Theory Comput 2016, 12 (12), 6213-6226.
  14. Tsubaki, M.; Mizoguchi, T., The journal of physical chemistry letters 2018, 9 (19), 5733-5741.
  15. Hernandez-Esparza, R.; Vazquez-Mayagoitia, A.; Soriano-Agueda, L.-A.; Vargas, R.; Garza, J., International Journal of Quantum Chemistry 2019, 119 (2).
  16. Xia, R. X.; Kais, S., Nature Communications 2018, 9 (1), 4195.
  17. Pukarov, T.; Cubero, A. C., Journal of Statistical Mechanics-Theory and Experiment 2018
  18. Seeley, J. T.; Richard, M. J.; Love, P. J., Journal of Chemical Physics 2012, 137 (22).
  19. Fradkin, E., Phys Rev Lett 1989, 63 (3), 322-325.
  20. Medvedev, M. G.; Bushmarinov, I. S.; Sun, J.; Perdew, J. P.; Lyssenko, K. A., 2017, 355 (6320), 49-52
  21. von?Lilienfeld, O. A., Angewandte Chemie International Edition 2018, 57 (16), 4164-4169.
  22. Goh, G. B.; Hodas, N. O.; Vishnu, A., Journal of Computational Chemistry 2017, 38 (16), 1291-1307.
  23. Mamoshina, P.; Vieira, A.; Putin, E.; Zhavoronkov, A., Molecular Pharmaceutics 2016, 13 (5), 1445-1454.
  24. Agrafiotis, D. K.; Bandyopadhyay, D.; Wegner, J. K.; van Vlijmen, H., Journal of Chemical Information and Modeling 2007, 47 (4), 1279-1293.
  25. Mosquera, M. A.; Fu, B.; Kohlstedt, K. L.; Schatz, G. C.; Ratner, M. A., ACS Energy Letters 2018, 3 (1), 155-162.
  26. Fujita, T.; Winkler, D. A., Journal of Chemical Information and Modeling 2016, 56 (2), 269-274.
  27. Lanyon, B. P.; Whitfield, J. D.; Gillett, G. G.; Goggin, M. E.; Almeida, M. P.; Kassal, I.; Biamonte, J. D.; Mohseni, M.; Powell, B. J.; Barbieri, M.; Aspuru-Guzik, A.; White, A. G., Nature chemistry 2010, 2 (2), 106-111.
  28. McClean, J. R., Algorithms Bridging Quantum Computation and Chemistry. 2015; p 244 pp-244 pp.
  29. Wecker, D.; Bauer, B.; Clark, B. K.; Hastings, M. B.; Troyer, M., Physical Review A 2014, 90 (2).

推薦閱讀：

相关文章