Biswajit Santra
Affiliations: | 2006-2010 | Theory | Fritz Haber Institute of the Max Planck Society |
| 2012-2017 | Chemistry | Princeton University, Princeton, NJ | |
| 2018- | Physics | Temple University, Philadelphia, PA, United States |
Area:
computational physics, computational chemistryWebsite:
https://sites.google.com/view/bsantra/Google:
"Biswajit Santra"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Matthias Scheffler | grad student | 2006-2010 | Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin |
| Roberto Car | post-doc | 2012-2017 | Princeton (Chemistry Tree) |
| John P. Perdew | research scientist | 2018- | Temple University |
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Publications
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| Kaplan AD, Santra B, Bhattarai P, et al. (2020) Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory. The Journal of Chemical Physics. 153: 074114 |
| Bhattarai P, Wagle K, Shahi C, et al. (2020) A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction. II. Gauge consistency of the energy density at three levels of approximation. The Journal of Chemical Physics. 152: 214109 |
| Sharkas K, Wagle K, Santra B, et al. (2020) Self-interaction error overbinds water clusters but cancels in structural energy differences. Proceedings of the National Academy of Sciences of the United States of America |
| Ko HY, Jia J, Santra B, et al. (2020) Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Molecular Dynamics I: Theory, Algorithm, and Performance. Journal of Chemical Theory and Computation |
| Zope RR, Yamamoto Y, Diaz CM, et al. (2019) A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction. The Journal of Chemical Physics. 151: 214108 |
| Santra B, Perdew JP. (2019) Perdew-Zunger self-interaction correction: How wrong for uniform densities and large-Z atoms? The Journal of Chemical Physics. 150: 174106 |
| Shahi C, Bhattarai P, Wagle K, et al. (2019) Stretched or noded orbital densities and self-interaction correction in density functional theory. The Journal of Chemical Physics. 150: 174102 |
| Santra B, Ko HY, Yeh YW, et al. (2018) Root-growth of boron nitride nanotubes: experiments and ab initio simulations. Nanoscale |
| Zheng L, Chen M, Sun Z, et al. (2018) Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble. The Journal of Chemical Physics. 148: 164505 |
| Chen M, Zheng L, Santra B, et al. (2018) Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer. Nature Chemistry |