| 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 | 630 | 2020 |
| Accurate Methods for Large Molecular Systems† MS Gordon, JM Mullin, SR Pruitt, LB Roskop, LV Slipchenko, JA Boatz The Journal of Physical Chemistry B 113 (29), 9646-9663, 2009 | 223 | 2009 |
| NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 216 | 2020 |
| Self-assembly and photopolymerization of sub-2 nm one-dimensional organic nanostructures on graphene A Deshpande, CH Sham, JMP Alaboson, JM Mullin, GC Schatz, ... Journal of the American Chemical Society 134 (40), 16759-16764, 2012 | 84 | 2012 |
| Systematic fragmentation method and the effective fragment potential: an efficient method for capturing molecular energies JM Mullin, LB Roskop, SR Pruitt, MA Collins, MS Gordon The Journal of Physical Chemistry A 113 (37), 10040-10049, 2009 | 72 | 2009 |
| Alanine: Then there was water JM Mullin, MS Gordon The Journal of Physical Chemistry B 113 (25), 8657-8669, 2009 | 72 | 2009 |
| Combined quantum mechanics (TDDFT) and classical electrodynamics (Mie theory) methods for calculating surface enhanced Raman and hyper-Raman spectra J Mullin, N Valley, MG Blaber, GC Schatz The Journal of Physical Chemistry A 116 (38), 9574-9581, 2012 | 56 | 2012 |
| Combined linear response quantum mechanics and classical electrodynamics (QM/ED) method for the calculation of surface-enhanced Raman spectra J Mullin, GC Schatz The Journal of Physical Chemistry A 116 (8), 1931-1938, 2012 | 43 | 2012 |
| Water and alanine: From puddles (32) to ponds (49) JM Mullin, MS Gordon The Journal of Physical Chemistry B 113 (43), 14413-14420, 2009 | 37 | 2009 |
| Time-dependent density functional methods for surface enhanced Raman scattering (SERS) studies JM Mullin, J Autschbach, GC Schatz Computational and Theoretical Chemistry 987, 32-41, 2012 | 35 | 2012 |
| Vibrational spectroscopy for glycine adsorbed on silicon clusters: Harmonic and anharmonic calculations for models of the Si (1 0 0)-2× 1 surface D Shemesh, J Mullin, MS Gordon, RB Gerber Chemical Physics 347 (1-3), 218-228, 2008 | 31 | 2008 |
| NWChem: Past, present, and future M Valiev, HJJ van Dam, Y Alexeev, J Anchell, V Anisimov, FW Aquino, ... J. Chem. Phys 152, 184102, 2020 | 16 | 2020 |
| Cyber intrusion detection using natural language processing on windows event logs K Steverson, C Carlin, J Mullin, M Ahiskali 2021 International Conference on Military Communication and Information …, 2021 | 15 | 2021 |
| THE POINT GROUP OF THE MOLECULE IS C1 THE ORDER OF THE PRINCIPAL AXIS IS 0 ATOM ATOMIC COORDINATES (BOHR) CHARGE X Y Z O 8.0 7.2675379345-2.7070264898 5.7341471279 MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JH Jensen, ... J. Comput. Chem 14, 1347-1363, 1993 | 13* | 1993 |
| High-velocity collisions of nanodiamond DF Johnson, JM Mullin, WD Mattson The Journal of Physical Chemistry C 121 (2), 1140-1145, 2017 | 11 | 2017 |
| Advancing the research and development of assured artificial intelligence and machine learning capabilities TJ Shipp, DJ Clouse, MJ De Lucia, MB Ahiskali, K Steverson, JM Mullin, ... arXiv preprint arXiv:2009.13250, 2020 | 5 | 2020 |
| NWChem: Past, present, and future A Edoardo, E Bylaska, W Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of Chemical Physics, 2020, vol. 152, núm. 18, p. 182102, 2020 | 3 | 2020 |
| Autonomous cyber warfare agents: dynamic reinforcement learning for defensive cyber operations DA Bierbrauer, RM Schabinger, C Carlin, J Mullin, JA Pavlik, ND Bastian Artificial Intelligence and Machine Learning for Multi-Domain Operations …, 2023 | 2 | 2023 |
| Adversarial robustness for machine learning cyber defenses using log data K Steverson, J Mullin, M Ahiskali arXiv preprint arXiv:2007.14983, 2020 | 2 | 2020 |
| Slicing, dicing, washing, evolving. All in the name of capturing an electron (or two). J Mullin | 1 | 2009 |
George C. SchatzNorthwestern University在 northwestern.edu 的电子邮件经过验证
