| Atom-by-atom fabrication with electron beams O Dyck, M Ziatdinov, DB Lingerfelt, RR Unocic, BM Hudak, AR Lupini, ... Nature Reviews Materials 4 (7), 497-507, 2019 | 111 | 2019 |
| From charge-transfer to a charge-separated state: a perspective from the real-time TDDFT excitonic dynamics A Petrone, DB Lingerfelt, N Rega, X Li Physical Chemistry Chemical Physics 16 (44), 24457-24465, 2014 | 66 | 2014 |
| Real-time TDDFT studies of exciton decay and transfer in silver nanowire arrays B Peng, DB Lingerfelt, F Ding, CM Aikens, X Li The Journal of Physical Chemistry C 119 (11), 6421-6427, 2015 | 62 | 2015 |
| “Watching” Polaron Pair Formation from First-Principles Electron–Nuclear Dynamics G Donati, DB Lingerfelt, A Petrone, N Rega, X Li The Journal of Physical Chemistry A 120 (37), 7255-7261, 2016 | 57 | 2016 |
| Direct ab Initio (Meta-)Surface-Hopping Dynamics DB Lingerfelt, DB Williams-Young, A Petrone, X Li Journal of Chemical Theory and Computation 12 (3), 935-945, 2016 | 51 | 2016 |
| Ab initio transient vibrational spectral analysis A Petrone, DB Lingerfelt, DB Williams-Young, X Li The journal of physical chemistry letters 7 (22), 4501-4508, 2016 | 48 | 2016 |
| Real-time TDDFT investigation of optical absorption in gold nanowires RD Senanayake, DB Lingerfelt, GU Kuda-Singappulige, X Li, CM Aikens The Journal of Physical Chemistry C 123 (23), 14734-14745, 2019 | 47 | 2019 |
| Ab initio two-component Ehrenfest dynamics F Ding, JJ Goings, H Liu, DB Lingerfelt, X Li The Journal of chemical physics 143 (11), 2015 | 43 | 2015 |
| Toward electrochemical studies on the nanometer and atomic scales: Progress, challenges, and opportunities SV Kalinin, O Dyck, N Balke, S Neumayer, WY Tsai, R Vasudevan, ... ACS nano 13 (9), 9735-9780, 2019 | 40 | 2019 |
| Time-dependent non-equilibrium dielectric response in QM/continuum approaches F Ding, DB Lingerfelt, B Mennucci, X Li The Journal of Chemical Physics 142 (3), 2015 | 39 | 2015 |
| A hybrid quantum-classical model of electrostatics in multiply charged quantum dots H Liu, CK Brozek, S Sun, DB Lingerfelt, DR Gamelin, X Li The Journal of Physical Chemistry C 121 (46), 26086-26095, 2017 | 36 | 2017 |
| Coupling real-time time-dependent density functional theory with polarizable force field G Donati, A Wildman, S Caprasecca, DB Lingerfelt, F Lipparini, ... The Journal of Physical Chemistry Letters 8 (21), 5283-5289, 2017 | 32 | 2017 |
| Molecular vibration induced plasmon decay G Donati, DB Lingerfelt, CM Aikens, X Li The Journal of Physical Chemistry C 121 (28), 15368-15374, 2017 | 29 | 2017 |
| Non-adiabatic molecular dynamics investigation of photoionization state formation and lifetime in Mn 2+-doped ZnO quantum dots SA Fischer, DB Lingerfelt, JW May, X Li Physical Chemistry Chemical Physics 16 (33), 17507-17514, 2014 | 28 | 2014 |
| Anisotropic polarizability-induced plasmon transfer G Donati, DB Lingerfelt, CM Aikens, X Li The Journal of Physical Chemistry C 122 (19), 10621-10626, 2018 | 27 | 2018 |
| Electronic Structure and Nonadiabatic Dynamics of Atomic Silver Nanowire–N2 Systems OA Hull, DB Lingerfelt, X Li, CM Aikens The Journal of Physical Chemistry C 124 (38), 20834-20845, 2020 | 26 | 2020 |
| Ab initio excited-state transient Raman analysis A Petrone, DB Williams-Young, DB Lingerfelt, X Li The Journal of Physical Chemistry A 121 (20), 3958-3965, 2017 | 24 | 2017 |
| Understanding beam-induced electronic excitations in materials DB Lingerfelt, P Ganesh, J Jakowski, BG Sumpter Journal of Chemical Theory and Computation 16 (2), 1200-1214, 2020 | 21 | 2020 |
| Classical or quantum? A computational study of small ion diffusion in II–VI semiconductor quantum dots EQ Chong, DB Lingerfelt, A Petrone, X Li The Journal of Physical Chemistry C 120 (34), 19434-19441, 2016 | 19 | 2016 |
| Ultrafast nonlinear plasmon decay processes in silver nanoclusters GU Kuda-Singappulige, DB Lingerfelt, X Li, CM Aikens The Journal of Physical Chemistry C 124 (37), 20477-20487, 2020 | 17 | 2020 |