{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,4]],"date-time":"2026-04-04T04:36:27Z","timestamp":1775277387104,"version":"3.50.1"},"reference-count":58,"publisher":"Springer Science and Business Media LLC","issue":"6","license":[{"start":{"date-parts":[[2023,6,1]],"date-time":"2023-06-01T00:00:00Z","timestamp":1685577600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2023,6,1]],"date-time":"2023-06-01T00:00:00Z","timestamp":1685577600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Nat Comput Sci"],"DOI":"10.1038\/s43588-023-00456-9","type":"journal-article","created":{"date-parts":[[2023,6,1]],"date-time":"2023-06-01T12:02:47Z","timestamp":1685620967000},"page":"532-541","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":45,"title":["Ab initio real-time quantum dynamics of charge carriers in momentum space"],"prefix":"10.1038","volume":"3","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1349-0999","authenticated-orcid":false,"given":"Zhenfa","family":"Zheng","sequence":"first","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1407-8031","authenticated-orcid":false,"given":"Yongliang","family":"Shi","sequence":"additional","affiliation":[]},{"given":"Jin-Jian","family":"Zhou","sequence":"additional","affiliation":[]},{"given":"Oleg V.","family":"Prezhdo","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0022-3442","authenticated-orcid":false,"given":"Qijing","family":"Zheng","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1346-5280","authenticated-orcid":false,"given":"Jin","family":"Zhao","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2023,6,1]]},"reference":[{"key":"456_CR1","doi-asserted-by":"publisher","first-page":"1543","DOI":"10.1126\/science.1185509","volume":"328","author":"WA Tisdale","year":"2010","unstructured":"Tisdale, W. A. et al. Hot-electron transfer from semiconductor nanocrystals. Science 328, 1543\u20131547 (2010).","journal-title":"Science"},{"key":"456_CR2","doi-asserted-by":"publisher","first-page":"4496","DOI":"10.1021\/cr3004899","volume":"113","author":"AV Akimov","year":"2013","unstructured":"Akimov, A. V., Neukirch, A. J. & Prezhdo, O. V. Theoretical insights into photoinduced charge transfer and catalysis at oxide interfaces. Chem. Rev. 113, 4496\u20134565 (2013).","journal-title":"Chem. Rev."},{"key":"456_CR3","doi-asserted-by":"publisher","first-page":"1411","DOI":"10.1002\/wcms.1411","volume":"9","author":"Q Zheng","year":"2019","unstructured":"Zheng, Q. et al. Ab initio nonadiabatic molecular dynamics investigations on the excited carriers in condensed matter systems. WIREs Comput. Mol. Sci. 9, 1411 (2019).","journal-title":"WIREs Comput. Mol. Sci."},{"key":"456_CR4","doi-asserted-by":"publisher","first-page":"025006","DOI":"10.1103\/RevModPhys.93.025006","volume":"93","author":"JA Sobota","year":"2021","unstructured":"Sobota, J. A., He, Y. & Shen, Z.-X. Angle-resolved photoemission studies of quantum materials. Rev. Modern Phys. 93, 025006 (2021).","journal-title":"Rev. Modern Phys."},{"key":"456_CR5","doi-asserted-by":"publisher","first-page":"036501","DOI":"10.1088\/1361-6633\/ab6a43","volume":"83","author":"S Ponc\u00e9","year":"2020","unstructured":"Ponc\u00e9, S., Li, W., Reichardt, S. & Giustino, F. First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials. Rep. Prog. Phys. 83, 036501 (2020).","journal-title":"Rep. Prog. Phys."},{"key":"456_CR6","doi-asserted-by":"publisher","DOI":"10.1140\/epjb\/e2016-70399-4","volume":"89","author":"M Bernardi","year":"2016","unstructured":"Bernardi, M. First-principles dynamics of electrons and phonons*. Eur. Phys. J. B 89, 239 (2016).","journal-title":"Eur. Phys. J. B"},{"key":"456_CR7","doi-asserted-by":"publisher","first-page":"5012","DOI":"10.1021\/acs.nanolett.7b02212","volume":"17","author":"VA Jhalani","year":"2017","unstructured":"Jhalani, V. A., Zhou, J.-J. & Bernardi, M. Ultrafast hot carrier dynamics in gan and its impact on the efficiency droop. Nano Lett. 17, 5012\u20135019 (2017).","journal-title":"Nano Lett."},{"key":"456_CR8","doi-asserted-by":"publisher","first-page":"023072","DOI":"10.1103\/PhysRevResearch.3.023072","volume":"3","author":"X Tong","year":"2021","unstructured":"Tong, X. & Bernardi, M. Toward precise simulations of the coupled ultrafast dynamics of electrons and atomic vibrations in materials. Phys. Rev. Res. 3, 023072 (2021).","journal-title":"Phys. Rev. Res."},{"key":"456_CR9","doi-asserted-by":"publisher","first-page":"084106","DOI":"10.1063\/1.2008258","volume":"123","author":"X Li","year":"2005","unstructured":"Li, X., Tully, J. C., Schlegel, H. B. & Frisch, M. J. Ab initio ehrenfest dynamics. J. Chem. Phys. 123, 084106 (2005).","journal-title":"J. Chem. Phys."},{"key":"456_CR10","doi-asserted-by":"publisher","first-page":"054110","DOI":"10.1063\/1.2960628","volume":"129","author":"S Meng","year":"2008","unstructured":"Meng, S. & Kaxiras, E. Real-time, local basis-set implementation of time-dependent density functional theory for excited state dynamics simulations. J. Chem. Phys. 129, 054110 (2008).","journal-title":"J. Chem. Phys."},{"key":"456_CR11","doi-asserted-by":"publisher","first-page":"466","DOI":"10.1021\/acs.jctc.5b00969","volume":"12","author":"G Kolesov","year":"2016","unstructured":"Kolesov, G., Granas, O., Hoyt, R., Vinichenko, D. & Kaxiras, E. Real-time TD-DFT with classical ion dynamics: methodology and applications. J. Chem. Theory Comput. 12, 466\u2013476 (2016).","journal-title":"J. Chem. Theory Comput."},{"key":"456_CR12","doi-asserted-by":"publisher","first-page":"063004","DOI":"10.1103\/PhysRevLett.114.063004","volume":"114","author":"Z Wang","year":"2015","unstructured":"Wang, Z., Li, S.-S. & Wang, L.-W. Efficient real-time time-dependent density functional theory method and its application to a collision of an ion with a 2D material. Phys. Rev. Lett. 114, 063004 (2015).","journal-title":"Phys. Rev. Lett."},{"key":"456_CR13","doi-asserted-by":"publisher","first-page":"997","DOI":"10.1103\/PhysRevLett.52.997","volume":"52","author":"E Runge","year":"1984","unstructured":"Runge, E. & Gross, E. K. U. Density-functional theory for time-dependent systems. Phys. Rev. Lett. 52, 997\u20131000 (1984).","journal-title":"Phys. Rev. Lett."},{"key":"456_CR14","doi-asserted-by":"publisher","first-page":"22","DOI":"10.1063\/1.4758792","volume":"137","author":"A Schleife","year":"2012","unstructured":"Schleife, A., Draeger, E. W., Kanai, Y. & Correa, A. A. Plane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn\u2013Sham equations in large-scale simulations. J. Chem. Phys. 137, 22\u2013546 (2012).","journal-title":"J. Chem. Phys."},{"key":"456_CR15","doi-asserted-by":"publisher","first-page":"100901","DOI":"10.1063\/5.0057587","volume":"155","author":"C Shepard","year":"2021","unstructured":"Shepard, C., Zhou, R., Yost, D. C., Yao, Y. & Kanai, Y. Simulating electronic excitation and dynamics with real-time propagation approach to TDDFT within plane-wave pseudopotential formulation. J. Chem. Phys. 155, 100901 (2021).","journal-title":"J. Chem. Phys."},{"key":"456_CR16","doi-asserted-by":"publisher","first-page":"4959","DOI":"10.1021\/ct400641n","volume":"9","author":"AV Akimov","year":"2013","unstructured":"Akimov, A. V. & Prezhdo, O. V. The pyxaid program for non-adiabatic molecular dynamics in condensed matter systems. J Chem. Theory Comput. 9, 4959\u201372 (2013).","journal-title":"J Chem. Theory Comput."},{"key":"456_CR17","doi-asserted-by":"publisher","first-page":"1061","DOI":"10.1063\/1.459170","volume":"93","author":"JC Tully","year":"1990","unstructured":"Tully, J. C. Molecular dynamics with electronic transitions. J. Chem. Phys. 93, 1061\u20131071 (1990).","journal-title":"J. Chem. Phys."},{"key":"456_CR18","doi-asserted-by":"publisher","first-page":"124101","DOI":"10.1063\/1.4894849","volume":"141","author":"G Cui","year":"2014","unstructured":"Cui, G. & Thiel, W. Generalized trajectory surface-hopping method for internal conversion and intersystem crossing. J. Chem. Phys. 141, 124101 (2014).","journal-title":"J. Chem. Phys."},{"key":"456_CR19","doi-asserted-by":"publisher","first-page":"205210","DOI":"10.1103\/PhysRevB.82.205210","volume":"82","author":"X Zhang","year":"2010","unstructured":"Zhang, X., Li, Z. & Lu, G. First-principles determination of charge carrier mobility in disordered semiconducting polymers. Phys. Rev. B 82, 205210 (2010).","journal-title":"Phys. Rev. B"},{"key":"456_CR20","doi-asserted-by":"publisher","first-page":"3759","DOI":"10.1126\/sciadv.abf3759","volume":"7","author":"X Jiang","year":"2021","unstructured":"Jiang, X. et al. Real-time GW-BSE investigations on spin-valley exciton dynamics in monolayer transition metal dichalcogenide. Sci. Adv. 7, 3759 (2021).","journal-title":"Sci. Adv."},{"key":"456_CR21","doi-asserted-by":"publisher","first-page":"4631","DOI":"10.1021\/acs.nanolett.0c01519","volume":"20","author":"J Liu","year":"2020","unstructured":"Liu, J., Zhang, X. & Lu, G. Excitonic effect drives ultrafast dynamics in van der waals heterostructures. Nano Lett. 20, 4631\u20134637 (2020).","journal-title":"Nano Lett."},{"key":"456_CR22","doi-asserted-by":"publisher","first-page":"6435","DOI":"10.1021\/acs.nanolett.7b03429","volume":"17","author":"Q Zheng","year":"2017","unstructured":"Zheng, Q. et al. Phonon-assisted ultrafast charge transfer at van der waals heterostructure interface. Nano Lett. 17, 6435\u20136442 (2017).","journal-title":"Nano Lett."},{"key":"456_CR23","doi-asserted-by":"publisher","first-page":"2159","DOI":"10.1021\/acsenergylett.8b01226","volume":"3","author":"W Li","year":"2018","unstructured":"Li, W., Zhou, L., Prezhdo, O. V. & Akimov, A. V. Spin-orbit interactions greatly accelerate nonradiative dynamics in lead halide perovskites. ACS Energy Lett. 3, 2159\u20132166 (2018).","journal-title":"ACS Energy Lett."},{"key":"456_CR24","doi-asserted-by":"publisher","first-page":"085142","DOI":"10.1103\/PhysRevB.105.085142","volume":"105","author":"Z Zheng","year":"2022","unstructured":"Zheng, Z., Zheng, Q. & Zhao, J. Spin-orbit coupling induced demagnetization in Ni: ab initio nonadiabatic molecular dynamics perspective. Phys. Rev. B 105, 085142 (2022).","journal-title":"Phys. Rev. B"},{"key":"456_CR25","doi-asserted-by":"publisher","first-page":"1131","DOI":"10.1021\/acs.jpclett.0c03782","volume":"12","author":"X-Y Liu","year":"2021","unstructured":"Liu, X.-Y. et al. Spin-orbit coupling accelerates the photoinduced interfacial electron transfer in a fullerene-based perovskite heterojunction. J. Phys. Chem. Lett. 12, 1131\u20131137 (2021).","journal-title":"J. Phys. Chem. Lett."},{"key":"456_CR26","doi-asserted-by":"publisher","first-page":"075448","DOI":"10.1103\/PhysRevB.96.075448","volume":"96","author":"T Sohier","year":"2017","unstructured":"Sohier, T., Calandra, M. & Mauri, F. Density functional perturbation theory for gated two-dimensional heterostructures: theoretical developments and application to flexural phonons in graphene. Phys. Rev. B 96, 075448 (2017).","journal-title":"Phys. Rev. B"},{"key":"456_CR27","doi-asserted-by":"publisher","first-page":"083001","DOI":"10.1088\/1361-648X\/aaa737","volume":"30","author":"B Monserrat","year":"2018","unstructured":"Monserrat, B. Electron\u2013phonon coupling from finite differences. J. Phys. Condensed Matter 30, 083001 (2018).","journal-title":"J. Phys. Condensed Matter"},{"key":"456_CR28","doi-asserted-by":"publisher","first-page":"915","DOI":"10.1016\/j.carbon.2015.06.008","volume":"93","author":"Z-Q Ye","year":"2015","unstructured":"Ye, Z.-Q., Cao, B.-Y., Yao, W.-J., Feng, T. & Ruan, X. Spectral phonon thermal properties in graphene nanoribbons. Carbon 93, 915\u2013923 (2015).","journal-title":"Carbon"},{"key":"456_CR29","doi-asserted-by":"publisher","first-page":"421","DOI":"10.1038\/nphys3265","volume":"11","author":"S Dal Conte","year":"2015","unstructured":"Dal Conte, S. et al. Snapshots of the retarded interaction of charge carriers with ultrafast fluctuations in cuprates. Nat. Phys. 11, 421\u2013426 (2015).","journal-title":"Nat. Phys."},{"key":"456_CR30","doi-asserted-by":"publisher","first-page":"086804","DOI":"10.1103\/PhysRevLett.99.086804","volume":"99","author":"C-H Park","year":"2007","unstructured":"Park, C.-H., Giustino, F., Cohen, M. L. & Louie, S. G. Velocity renormalization and carrier lifetime in graphene from the electron\u2013phonon interaction. Phys. Rev. Lett. 99, 086804 (2007).","journal-title":"Phys. Rev. Lett."},{"key":"456_CR31","doi-asserted-by":"publisher","first-page":"4229","DOI":"10.1021\/nl801884n","volume":"8","author":"C-H Park","year":"2008","unstructured":"Park, C.-H., Giustino, F., Cohen, M. L. & Louie, S. G. Electron\u2013phonon interactions in graphene, bilayer graphene, and graphite. Nano Lett. 8, 4229\u20134233 (2008).","journal-title":"Nano Lett."},{"key":"456_CR32","doi-asserted-by":"publisher","first-page":"1119","DOI":"10.1038\/nmat3757","volume":"12","author":"I Gierz","year":"2013","unstructured":"Gierz, I. et al. Snapshots of non-equilibrium dirac carrier distributions in graphene. Nat. Mater. 12, 1119\u20131124 (2013).","journal-title":"Nat. Mater."},{"key":"456_CR33","doi-asserted-by":"publisher","first-page":"027403","DOI":"10.1103\/PhysRevLett.111.027403","volume":"111","author":"JC Johannsen","year":"2013","unstructured":"Johannsen, J. C. et al. Direct view of hot carrier dynamics in graphene. Phys. Rev. Lett. 111, 027403 (2013).","journal-title":"Phys. Rev. Lett."},{"key":"456_CR34","doi-asserted-by":"publisher","first-page":"086803","DOI":"10.1103\/PhysRevLett.115.086803","volume":"115","author":"I Gierz","year":"2015","unstructured":"Gierz, I. et al. Tracking primary thermalization events in graphene with photoemission at extreme time scales. Phys. Rev. Lett. 115, 086803 (2015).","journal-title":"Phys. Rev. Lett."},{"key":"456_CR35","doi-asserted-by":"publisher","first-page":"1231","DOI":"10.1126\/science.aaw1662","volume":"366","author":"MX Na","year":"2019","unstructured":"Na, M. X. et al. Direct determination of mode-projected electron-phonon coupling in the time domain. Science 366, 1231 (2019).","journal-title":"Science"},{"key":"456_CR36","doi-asserted-by":"publisher","first-page":"187403","DOI":"10.1103\/PhysRevLett.95.187403","volume":"95","author":"T Kampfrath","year":"2005","unstructured":"Kampfrath, T., Perfetti, L., Schapper, F., Frischkorn, C. & Wolf, M. Strongly coupled optical phonons in the ultrafast dynamics of the electronic energy and current relaxation in graphite. Phys. Rev. Lett. 95, 187403 (2005).","journal-title":"Phys. Rev. Lett."},{"key":"456_CR37","doi-asserted-by":"publisher","first-page":"184303","DOI":"10.1103\/PhysRevB.92.184303","volume":"92","author":"A Stange","year":"2015","unstructured":"Stange, A. et al. Hot electron cooling in graphite: supercollision versus hot phonon decay. Phys. Rev. B 92, 184303 (2015).","journal-title":"Phys. Rev. B"},{"key":"456_CR38","doi-asserted-by":"publisher","first-page":"081917","DOI":"10.1063\/1.3291615","volume":"96","author":"H Wang","year":"2010","unstructured":"Wang, H. et al. Ultrafast relaxation dynamics of hot optical phonons in graphene. Appl. Phys. Lett. 96, 081917 (2010).","journal-title":"Appl. Phys. Lett."},{"key":"456_CR39","doi-asserted-by":"publisher","first-page":"203103","DOI":"10.1063\/1.2809413","volume":"91","author":"S Butscher","year":"2007","unstructured":"Butscher, S., Milde, F., Hirtschulz, M., Mali\u0107, E. & Knorr, A. Hot electron relaxation and phonon dynamics in graphene. Appl. Phys. Lett. 91, 203103 (2007).","journal-title":"Appl. Phys. Lett."},{"key":"456_CR40","doi-asserted-by":"publisher","first-page":"4902","DOI":"10.1021\/nl202800h","volume":"11","author":"JH Strait","year":"2011","unstructured":"Strait, J. H. et al. Very slow cooling dynamics of photoexcited carriers in graphene observed by optical-pump terahertz-probe spectroscopy. Nano Lett. 11, 4902\u20134906 (2011).","journal-title":"Nano Lett."},{"key":"456_CR41","doi-asserted-by":"publisher","first-page":"175","DOI":"10.1093\/nsr\/nwab175","volume":"9","author":"H Zhang","year":"2022","unstructured":"Zhang, H. et al. Self-energy dynamics and the mode-specific phonon threshold effect in Kekul\u00e9-ordered graphene. Natl Sci. Rev. 9, 175 (2022).","journal-title":"Natl Sci. Rev."},{"key":"456_CR42","doi-asserted-by":"publisher","first-page":"154104","DOI":"10.1063\/1.5036543","volume":"149","author":"C Lian","year":"2018","unstructured":"Lian, C., Hu, S.-Q., Guan, M.-X. & Meng, S. Momentum-resolved TDDFT algorithm in atomic basis for real time tracking of electronic excitation. J. Chem. Phys. 149, 154104 (2018).","journal-title":"J. Chem. Phys."},{"key":"456_CR43","doi-asserted-by":"publisher","first-page":"7998","DOI":"10.1103\/PhysRevB.62.7998","volume":"62","author":"GF Bertsch","year":"2000","unstructured":"Bertsch, G. F., Iwata, J.-I., Rubio, A. & Yabana, K. Real-space, real-time method for the dielectric function. Phys. Rev. B 62, 7998\u20138002 (2000).","journal-title":"Phys. Rev. B"},{"key":"456_CR44","doi-asserted-by":"publisher","first-page":"60","DOI":"10.1016\/S0010-4655(02)00686-0","volume":"151","author":"MAL Marques","year":"2003","unstructured":"Marques, M. A. L., Castro, A., Bertsch, G. F. & Rubio, A. octopus: a first-principles tool for excited electron\u2013ion dynamics. Comput. Phys. Commun. 151, 60\u201378 (2003).","journal-title":"Comput. Phys. Commun."},{"key":"456_CR45","doi-asserted-by":"publisher","first-page":"2465","DOI":"10.1002\/pssb.200642067","volume":"243","author":"A Castro","year":"2006","unstructured":"Castro, A. et al. octopus: a tool for the application of time-dependent density functional theory. Phys. Status Solidi B 243, 2465\u20132488 (2006).","journal-title":"Phys. Status Solidi B"},{"key":"456_CR46","doi-asserted-by":"publisher","first-page":"31371","DOI":"10.1039\/C5CP00351B","volume":"17","author":"X Andrade","year":"2015","unstructured":"Andrade, X. et al. Real-space grids and the octopus code as tools for the development of new simulation approaches for electronic systems. Phys. Chem. Chem. Phys. 17, 31371\u201331396 (2015).","journal-title":"Phys. Chem. Chem. Phys."},{"key":"456_CR47","doi-asserted-by":"publisher","DOI":"10.1038\/s41535-021-00421-7","volume":"7","author":"S-Q Hu","year":"2022","unstructured":"Hu, S.-Q. et al. Tracking photocarrier-enhanced electron\u2013phonon coupling in nonequilibrium. npj Quantum Mater. 7, 14 (2022).","journal-title":"npj Quantum Mater."},{"key":"456_CR48","doi-asserted-by":"publisher","first-page":"3082","DOI":"10.1021\/acs.jpclett.0c03853","volume":"12","author":"W Chu","year":"2021","unstructured":"Chu, W. & Prezhdo, O. V. Concentric approximation for fast and accurate numerical evaluation of nonadiabatic coupling with projector augmented-wave pseudopotentials. J. Phys. Chem. Lett. 12, 3082\u20133089 (2021).","journal-title":"J. Phys. Chem. Lett."},{"key":"456_CR49","doi-asserted-by":"publisher","first-page":"10073","DOI":"10.1021\/acs.jpclett.0c03080","volume":"11","author":"W Chu","year":"2020","unstructured":"Chu, W. et al. Accurate computation of nonadiabatic coupling with projector augmented-wave pseudopotentials. J. Phys. Chem. Lett. 11, 10073\u201310080 (2020).","journal-title":"J. Phys. Chem. Lett."},{"key":"456_CR50","doi-asserted-by":"publisher","first-page":"014512","DOI":"10.1063\/1.4732536","volume":"137","author":"S Fernandez-Alberti","year":"2012","unstructured":"Fernandez-Alberti, S., Roitberg, A. E., Nelson, T. & Tretiak, S. Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules. J. Chem. Phys. 137, 014512 (2012).","journal-title":"J. Chem. Phys."},{"key":"456_CR51","doi-asserted-by":"publisher","first-page":"4319","DOI":"10.1021\/acs.jpclett.8b01902","volume":"9","author":"J Qiu","year":"2018","unstructured":"Qiu, J., Bai, X. & Wang, L. Crossing classified and corrected fewest switches surface hopping. J. Phys. Chem. Lett. 9, 4319\u20134325 (2018).","journal-title":"J. Phys. Chem. Lett."},{"key":"456_CR52","doi-asserted-by":"publisher","first-page":"713","DOI":"10.1021\/jz500025c","volume":"5","author":"L Wang","year":"2014","unstructured":"Wang, L. & Prezhdo, O. V. A simple solution to the trivial crossing problem in surface hopping. J. Phys. Chem. Lett. 5, 713\u2013719 (2014).","journal-title":"J. Phys. Chem. Lett."},{"key":"456_CR53","doi-asserted-by":"publisher","first-page":"121404","DOI":"10.1103\/PhysRevB.83.121404","volume":"83","author":"PJ Hale","year":"2011","unstructured":"Hale, P. J., Hornett, S. M., Moger, J., Horsell, D. W. & Hendry, E. Hot phonon decay in supported and suspended exfoliated graphene. Phys. Rev. B 83, 121404 (2011).","journal-title":"Phys. Rev. B"},{"key":"456_CR54","doi-asserted-by":"publisher","first-page":"107401","DOI":"10.1103\/PhysRevLett.125.107401","volume":"125","author":"H-Y Chen","year":"2020","unstructured":"Chen, H.-Y., Sangalli, D. & Bernardi, M. Exciton-phonon interaction and relaxation times from first principles. Phys. Rev. Lett. 125, 107401 (2020).","journal-title":"Phys. Rev. Lett."},{"key":"456_CR55","doi-asserted-by":"publisher","first-page":"7794","DOI":"10.1021\/acs.nanolett.5b01854","volume":"15","author":"F Zheng","year":"2015","unstructured":"Zheng, F., Tan, L. Z., Liu, S. & Rappe, A. M. Rashba spin-orbit coupling enhanced carrier lifetime in CH3NH3PbI3. Nano Lett. 15, 7794\u20137800 (2015).","journal-title":"Nano Lett."},{"key":"456_CR56","unstructured":"Zheng, Z. & Zheng, Q. Hefei-NAMD-EPC v.1.10.6 (GitHub, 2023); https:\/\/github.com\/ZhenfaZheng\/NAMDinMomentumSpace.git"},{"key":"456_CR57","doi-asserted-by":"publisher","unstructured":"Zheng, Z. & Zheng, Q. Ab initio real-time quantum dynamics of charge carriers in momentum space. CodeOcean https:\/\/doi.org\/10.24433\/CO.4619996.v1 (2023).","DOI":"10.24433\/CO.4619996.v1"},{"key":"456_CR58","doi-asserted-by":"publisher","unstructured":"Zhou, J.-J. et al. Perturbo: A software package for ab initio electron\u2013phonon interactions, charge transport and ultrafast dynamics. Comput. Phys. Commun. https:\/\/doi.org\/10.1016\/j.cpc.2021.107970 (2021).","DOI":"10.1016\/j.cpc.2021.107970"}],"container-title":["Nature Computational Science"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.nature.com\/articles\/s43588-023-00456-9.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.nature.com\/articles\/s43588-023-00456-9","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.nature.com\/articles\/s43588-023-00456-9.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,6,25]],"date-time":"2023-06-25T19:05:28Z","timestamp":1687719928000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.nature.com\/articles\/s43588-023-00456-9"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,6,1]]},"references-count":58,"journal-issue":{"issue":"6","published-online":{"date-parts":[[2023,6]]}},"alternative-id":["456"],"URL":"https:\/\/doi.org\/10.1038\/s43588-023-00456-9","relation":{"has-preprint":[{"id-type":"doi","id":"10.21203\/rs.3.rs-2254104\/v1","asserted-by":"object"}]},"ISSN":["2662-8457"],"issn-type":[{"value":"2662-8457","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,6,1]]},"assertion":[{"value":"9 November 2022","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"21 April 2023","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"1 June 2023","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"15 June 2023","order":4,"name":"change_date","label":"Change Date","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"Update","order":5,"name":"change_type","label":"Change Type","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"In the version of this article initially published, a reference (","order":6,"name":"change_details","label":"Change Details","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"https:\/\/doi.org\/10.1016\/j.cpc.2021.107970","URL":"https:\/\/doi.org\/10.1016\/j.cpc.2021.107970","order":7,"name":"change_details","label":"Change Details","group":{"name":"ArticleHistory","label":"Article History"}},{"value":") for the Perturbo software package listed in the Code availability section was missing and has now been amended in the HTML and PDF versions of the article.","order":8,"name":"change_details","label":"Change Details","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"The authors declare no competing interests.","order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Competing interests"}}]}}