The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.

Sun Q, Hermes MR, Wu X, Zhai H, Zhang X, Ahmed AM, Aucar JJ, Backhouse OJ, Banerjee S, Bao P, Bogdanov NA, Bystrom K, Chapoton F, Chen NY, Chernyshov IY, Clifford HS, Cohen-Janes S, Cui ZH, Damour YD, Dattani N, Dittmer LB, Ehlert S, Eriksen JJ, Evangelista FA, Ewing SA, Farahvash A, Focke K, Gao Y, Gasperich KE, Gillispie N, Greiner J, Hennefarth MR, Hermann J, Hillenbrand C, Huhtasalo J, Ibrahim B, Jangid B, Javaremi AN, Jenkins AJ, Jin Y, King DS, Kooi DP, Kurian JS, Larsson HR, Lau BTG, Lee S, Lehtola S, Li C, Li H, Li J, Li R, Li S, Lykhin AO, Mahajan A, Mauger N, Mazo-Sevillano PD, Moussa J, Nakano K, Neufeld VA, Peng L, Pham HQ, Pinski P, Pokhilko P, Pu Z, Qian Y, Quiton SJ, Schulze WT, Scott TR, Seal A, Serna JD, Smith JET, Smyser KE, Stahl T, Sun C, Sung KJ, Trushin E, Upadhyay S, Vo EA, Vogels T, Wang S, Wang T, Wang X, Wang X, Wang Y, Williamson M, Yang J, Ye HZ, Yeh CN, Yu H, Yu J, Yu VW, Zhang C, Zhang D, Zhang Y, Zhao Z, Zhou Z, Zhu AJ, Zhu T, Berkelbach TC, Gagliardi L, Sharma S, Sokolov AY, Kin-Lic Chan G

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DOI: 10.1063/5.0337441
Published: 2026 Sep 14
Container: The Journal of chemical physics
Publisher: Not recorded
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1063/5.0337441,
  title = {The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.},
  author = {Sun Q and Hermes MR and Wu X and Zhai H and Zhang X and Ahmed AM and Aucar JJ and Backhouse OJ and Banerjee S and Bao P and Bogdanov NA and Bystrom K and Chapoton F and Chen NY and Chernyshov IY and Clifford HS and Cohen-Janes S and Cui ZH and Damour YD and Dattani N and Dittmer LB and Ehlert S and Eriksen JJ and Evangelista FA and Ewing SA and Farahvash A and Focke K and Gao Y and Gasperich KE and Gillispie N and Greiner J and Hennefarth MR and Hermann J and Hillenbrand C and Huhtasalo J and Ibrahim B and Jangid B and Javaremi AN and Jenkins AJ and Jin Y and King DS and Kooi DP and Kurian JS and Larsson HR and Lau BTG and Lee S and Lehtola S and Li C and Li H and Li J and Li R and Li S and Lykhin AO and Mahajan A and Mauger N and Mazo-Sevillano PD and Moussa J and Nakano K and Neufeld VA and Peng L and Pham HQ and Pinski P and Pokhilko P and Pu Z and Qian Y and Quiton SJ and Schulze WT and Scott TR and Seal A and Serna JD and Smith JET and Smyser KE and Stahl T and Sun C and Sung KJ and Trushin E and Upadhyay S and Vo EA and Vogels T and Wang S and Wang T and Wang X and Wang X and Wang Y and Williamson M and Yang J and Ye HZ and Yeh CN and Yu H and Yu J and Yu VW and Zhang C and Zhang D and Zhang Y and Zhao Z and Zhou Z and Zhu AJ and Zhu T and Berkelbach TC and Gagliardi L and Sharma S and Sokolov AY and Kin-Lic Chan G},
  year = {2026},
  journal = {The Journal of chemical physics},
  doi = {10.1063/5.0337441},
  url = {https://doi.org/10.1063/5.0337441}
}

RIS

TY  - JOUR
TI  - The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.
AU  - Sun Q
AU  - Hermes MR
AU  - Wu X
AU  - Zhai H
AU  - Zhang X
AU  - Ahmed AM
AU  - Aucar JJ
AU  - Backhouse OJ
AU  - Banerjee S
AU  - Bao P
AU  - Bogdanov NA
AU  - Bystrom K
AU  - Chapoton F
AU  - Chen NY
AU  - Chernyshov IY
AU  - Clifford HS
AU  - Cohen-Janes S
AU  - Cui ZH
AU  - Damour YD
AU  - Dattani N
AU  - Dittmer LB
AU  - Ehlert S
AU  - Eriksen JJ
AU  - Evangelista FA
AU  - Ewing SA
AU  - Farahvash A
AU  - Focke K
AU  - Gao Y
AU  - Gasperich KE
AU  - Gillispie N
AU  - Greiner J
AU  - Hennefarth MR
AU  - Hermann J
AU  - Hillenbrand C
AU  - Huhtasalo J
AU  - Ibrahim B
AU  - Jangid B
AU  - Javaremi AN
AU  - Jenkins AJ
AU  - Jin Y
AU  - King DS
AU  - Kooi DP
AU  - Kurian JS
AU  - Larsson HR
AU  - Lau BTG
AU  - Lee S
AU  - Lehtola S
AU  - Li C
AU  - Li H
AU  - Li J
AU  - Li R
AU  - Li S
AU  - Lykhin AO
AU  - Mahajan A
AU  - Mauger N
AU  - Mazo-Sevillano PD
AU  - Moussa J
AU  - Nakano K
AU  - Neufeld VA
AU  - Peng L
AU  - Pham HQ
AU  - Pinski P
AU  - Pokhilko P
AU  - Pu Z
AU  - Qian Y
AU  - Quiton SJ
AU  - Schulze WT
AU  - Scott TR
AU  - Seal A
AU  - Serna JD
AU  - Smith JET
AU  - Smyser KE
AU  - Stahl T
AU  - Sun C
AU  - Sung KJ
AU  - Trushin E
AU  - Upadhyay S
AU  - Vo EA
AU  - Vogels T
AU  - Wang S
AU  - Wang T
AU  - Wang X
AU  - Wang X
AU  - Wang Y
AU  - Williamson M
AU  - Yang J
AU  - Ye HZ
AU  - Yeh CN
AU  - Yu H
AU  - Yu J
AU  - Yu VW
AU  - Zhang C
AU  - Zhang D
AU  - Zhang Y
AU  - Zhao Z
AU  - Zhou Z
AU  - Zhu AJ
AU  - Zhu T
AU  - Berkelbach TC
AU  - Gagliardi L
AU  - Sharma S
AU  - Sokolov AY
AU  - Kin-Lic Chan G
PY  - 2026
JO  - The Journal of chemical physics
DO  - 10.1063/5.0337441
UR  - https://doi.org/10.1063/5.0337441
ER  -

APA

Q, S., MR, H., X, W., H, Z., X, Z., AM, A., JJ, A., OJ, B., S, B., P, B., NA, B., K, B., F, C., NY, C., IY, C., HS, C., S, C., ZH, C., YD, D., N, D., LB, D., S, E., JJ, E., FA, E., SA, E., A, F., K, F., Y, G., KE, G., N, G., J, G., MR, H., J, H., C, H., J, H., B, I., B, J., AN, J., AJ, J., Y, J., DS, K., DP, K., JS, K., HR, L., BTG, L., S, L., S, L., C, L., H, L., J, L., R, L., S, L., AO, L., A, M., N, M., PD, M., J, M., K, N., VA, N., L, P., HQ, P., P, P., P, P., Z, P., Y, Q., SJ, Q., WT, S., TR, S., A, S., JD, S., JET, S., KE, S., T, S., C, S., KJ, S., E, T., S, U., EA, V., T, V., S, W., T, W., X, W., X, W., Y, W., M, W., J, Y., HZ, Y., CN, Y., H, Y., J, Y., VW, Y., C, Z., D, Z., Y, Z., Z, Z., Z, Z., AJ, Z., T, Z., TC, B., L, G., S, S., AY, S., & G, K. C. (2026). The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.. The Journal of chemical physics. https://doi.org/10.1063/5.0337441

Source records

pubmed · retrieved 2026-09-24T19:43:47.948Z