| NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020 | 533 | 2020 |
| NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 187 | 2020 |
| Accelerated broadband spectra using transition dipole decomposition and Padé approximants A Bruner, D LaMaster, K Lopata Journal of chemical theory and computation 12 (8), 3741-3750, 2016 | 112 | 2016 |
| Attosecond charge migration with TDDFT: Accurate dynamics from a well-defined initial state A Bruner, S Hernandez, F Mauger, PM Abanador, DJ LaMaster, ... The journal of physical chemistry letters 8 (17), 3991-3996, 2017 | 78 | 2017 |
| Molecular modes of attosecond charge migration AS Folorunso, A Bruner, F Mauger, KA Hamer, S Hernandez, RR Jones, ... Physical review letters 126 (13), 133002, 2021 | 45 | 2021 |
| X-ray linear and non-linear spectroscopy of the ESCA molecule A Nenov, F Segatta, A Bruner, S Mukamel, M Garavelli The Journal of Chemical Physics 151 (11), 2019 | 18 | 2019 |
| Structure Based Modulation of Electron Dynamics in meso-(4-Pyridyl)-BODIPYs: A Computational and Synthetic Approach DJ LaMaster, NEM Kaufman, AS Bruner, MGH Vicente The Journal of Physical Chemistry A 122 (31), 6372-6380, 2018 | 16 | 2018 |
| Vázquez-Mayagoitia, P E Aprà, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... Verma, O. Villa, A. Vishnu, KD Vogiatzis, D. Wang, JH Weare, MJ Williamson …, 2020 | 12 | 2020 |
| Simulated field-modulated x-ray absorption in titania P Darapaneni, AM Meyer, M Sereda, A Bruner, JA Dorman, K Lopata The Journal of Chemical Physics 153 (5), 2020 | 7 | 2020 |
| Resonant X-ray sum-frequency-generation spectroscopy of K-edges in acetyl fluoride A Bruner, SM Cavaletto, N Govind, S Mukamel Journal of Chemical Theory and Computation 15 (12), 6832-6839, 2019 | 6 | 2019 |
| Signature of charge migration in modulations of double ionization F Mauger, PM Abanador, A Bruner, A Sissay, MB Gaarde, K Lopata, ... Physical Review A 97 (4), 043407, 2018 | 5 | 2018 |
| Coherent electron dynamics in systems with a high density of states A Bruner, F Mauger, A Meyer, P Abanador, M Gaarde, K Schafer, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Simulating ionization-triggered attosecond charge migration with TDDFT A Bruner, A Sissay, S Hernandez, F Mauger, P Abanador, M Gaarde, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
| Identifying key charge migration modes with time-depdendent density functional theory A Bruner, S Hernandez, F Mauger, P Abanador, M Gaarde, K Schafer, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
| Accelerated Broadband Spectra and Attosecond Charge Migration Simulations Using Real-Time Time-Dependent Density Functional Theory AS Bruner Louisiana State University and Agricultural & Mechanical College, 2018 | | 2018 |
| Strong-field ionization in molecules using range-separated time-dependent density functional theory A Sissay, A Bruner, P Abanador, F Mauger, M Gaarde, K Schafer, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| First Principles Modeling and Interpretation of Ionization-Triggered Charge Migration in Molecules A Bruner, S Hernandez, F Mauger, P Abanador, M Gaarde, K Schafer, ... APS March Meeting Abstracts 2017, M1. 344, 2017 | | 2017 |
| Initiating and probing molecular modes of charge migration MB Gaarde, A Folorunso, A Bruner, F Mauger, K Hamer, S Hernandez, ... | | |
Kenneth LopataLouisiana State University, Department of ChemistryVerified email at lsu.edu
