Fang Liu
Affiliations: | 2020- | Chemistry | Emory University, Atlanta, GA |
Area:
theoretical chemistry, computational chemistryWebsite:
https://flgroup.emorychem.science/Google:
"https://scholar.google.com/citations?user=_Cjrl2YAAAAJ&hl=en"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Todd Martinez | grad student | 2011-2017 | Stanford |
| Heather Kulik | post-doc | 2017-2020 | MIT |
Children
Sign in to add trainee| Ariel Gale | grad student | 2020- | Emory |
| Xu Chen | grad student | 2021- | Emory |
| Patrick Li | grad student | 2021- | Emory |
| Fangning Ren | grad student | 2021- | Emory |
| Eugen Hruska | post-doc | 2020- | Emory |
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Publications
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| Hruska E, Gale A, Liu F. (2022) Bridging the Experiment-Calculation Divide: Machine Learning Corrections to Redox Potential Calculations in Implicit and Explicit Solvent Models. Journal of Chemical Theory and Computation |
| Smith DGA, Lolinco AT, Glick ZL, et al. (2021) Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs. The Journal of Chemical Physics. 155: 204801 |
| Duan C, Chen S, Taylor MG, et al. (2021) Machine learning to tame divergent density functional approximations: a new path to consensus materials design principles. Chemical Science. 12: 13021-13036 |
| Nandy A, Duan C, Taylor MG, et al. (2021) Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning. Chemical Reviews |
| Gale A, Hruska E, Liu F. (2021) Quantum chemistry for molecules at extreme pressure on graphical processing units: Implementation of extreme-pressure polarizable continuum model. The Journal of Chemical Physics. 154: 244103 |
| Duan C, Liu F, Nandy A, et al. (2021) Putting Density Functional Theory to the Test in Machine-Learning-Accelerated Materials Discovery. The Journal of Physical Chemistry Letters. 4628-4637 |
| Liang R, Yu JK, Meisner J, et al. (2021) Electrostatic Control of Photoisomerization in Channelrhodopsin 2. Journal of the American Chemical Society |
| Liu F, Filatov M, Martínez TJ. (2021) Analytical derivatives of the individual state energies in ensemble density functional theory. II. Implementation on graphical processing units (GPUs). The Journal of Chemical Physics. 154: 104108 |
| Klionsky DJ, Abdel-Aziz AK, Abdelfatah S, et al. (2021) Guidelines for the use and interpretation of assays for monitoring autophagy (4th edition). Autophagy. 1-382 |
| Janet JP, Duan C, Nandy A, et al. (2021) Navigating Transition-Metal Chemical Space: Artificial Intelligence for First-Principles Design. Accounts of Chemical Research |