Lopata, Kenneth - Louisiana State University

个人简介

Bachelor's Degree(s): Chemical Physics, University of Toronto, 2004 PhD: Physical Chemistry, University of California, Los Angeles, 2010 PostDoc: Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, 2010-2013

研究领域

Research in my group focuses on using time-domain quantum chemistry simulations (i.e., real-time time-dependent density functional theory) to shed light on the fundamental mechanisms underlying femtosecond excited state dynamics in molecules and materials.

近期论文

查看导师新发文章（温馨提示：请注意重名现象，建议点开原文通过作者单位确认）

K. Lopata, B. E. V. Kuiken, M. Khalil, and N. Govind, "Core-level absorption spectroscopy with linear response and real-time time-dependent density functional theory," J. Chem. Theory Comput. 8, 3284–3292 (2012). N. Govind, K. Lopata, R. Rousseau, A. Andersen, and K. Kowalski, "Visible light absorption of N-doped TiO2 rutile using (LR/RT)-TDDFT and active space EOMCCSD calculations," J. Phys. Chem. Lett. 2, 2696–2701 (2011). K. Lopata, R. Reslan, M. Kowalska, D. Neuhauser, N. Govind, and K. Kowalski, "Excited- state studies of polyacenes: A comparative picture using EOMCCSD, CR-EOMCCSD(T), range-separated (LR/RT)-TDDFT, TD-PM3, and TD-ZINDO," J. Chem. Theory Comput. 7, 3686–3693 (2011). K. Lopata and N. Govind, "Modeling fast electron dynamics with real-time time-dependent density functional theory: Application to small molecules and chromophores," J. Chem. Theory Comput. 7, 1344–1355 (2011). K. Lopata and D. Neuhauser, "Multiscale Maxwell–Schrödinger modeling: A split field finite- difference time-domain approach to molecular nanopolaritonics," J. Chem. Phys. 130, 104707 (2009).