This e-book is published under the Creative Commons Attribution-ShareAlike license CC BY-SA.
The general eChem book reference is
Fransson, T., Delcey, M. G., Brumboiu, I. E., Hodecker, M., Li, X., Rinkevicius, Z., Dreuw, A., Rhee, Y. M., and Norman, P. Computational Chemistry from Laptop to HPC : A notebook exploration of quantum chemistry, (KTH Royal Institute of Technology, Stockholm), 2022. Fransson et al. (2022)
If you find use for this book in your teaching, please also cite the following article describing some of the didactic aspects of eChem
Fransson, T., Delcey, M. G., Brumboiu, I. E., Hodecker, M., Li, X., Rinkevicius, Z., Dreuw, A., Rhee, Y. M., and Norman, P. “eChem: A Notebook Exploration of Quantum Chemistry”, J. Chem. Educ. 100, 1664–1671 (2023). Fransson et al. (2023)
We appreciate any suggestions/comments on the material presented, so do not hesitate to reach out to us either by contacting one of the book authors or by opening a Github issue. If there are sections missing that you wish to contribute, please also contact us.
- Fransson, T., Delcey, M., Brumboiu, I. E., Hodecker, M., Li, X., Rinkevicius, Z., Dreuw, A., Rhee, Y. M., & Norman, P. (2022). Computational Chemistry from Laptop to HPC: A notebook exploration of quantum chemistry. KTH Royal Institute of Technology. 10.30746/978-91-988114-0-7
- Fransson, T., Delcey, M. G., Brumboiu, I. E., Hodecker, M., Li, X., Rinkevicius, Z., Dreuw, A., Rhee, Y. M., & Norman, P. (2023). eChem: A Notebook Exploration of Quantum Chemistry. J. Chem. Educ., 100(4), 1664–1671. 10.1021/acs.jchemed.2c01103