Browsing by Author Santra, Biswajit
Showing results 1 to 10 of 10
| Publication Date | Article Title | Author(s) |
|---|---|---|
| 10-Oct-2017 | Ab initio theory and modeling of water | Chen, Mohan; Ko, Hsin-Yu; Remsing, Richard C.; Calegari Andrade, Marcos F.; Santra, Biswajit; et al |
| 11-Feb-2020 | Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance | Ko, Hsin-Yu; Jia, Junteng; Santra, Biswajit; Wu, Xifan; Car, Roberto; et al |
| Oct-2011 | Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures | Santra, Biswajit; Klimeš, Jiří; Alfè, Dario; Tkatchenko, Alexandre; Slater, Ben; et al |
| Dec-2017 | In situ Characterization of Nanoparticles Using Rayleigh Scattering | Santra, Biswajit; Shneider, Mikhail N.; Car, Roberto |
| 28-Aug-2014 | The individual and collective effects of exact exchange and dispersion interactions on the ab initio structure of liquid water | DiStasio, Robert A. Jr.; Santra, Biswajit; Li, Zhaofeng; Wu, Xifan; Car, Roberto |
| 15-Oct-2019 | Isotope effects in liquid water via deep potential molecular dynamics | Ko, Hsin-Yu; Zhang, Linfeng; Santra, Biswajit; Wang, Han; E, Weinan; et al |
| 6-Jul-2015 | Local structure analysis in ab initio liquid water | Santra, Biswajit; DiStasio, Robert A; Martelli, Fausto; Car, Roberto |
| 21-Oct-2013 | On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures | Santra, Biswajit; Klimeš, Jiří; Tkatchenko, Alexandre; Alfè, Dario; Slater, Ben; et al |
| 28-Aug-2018 | Root-growth of boron nitride nanotubes: experiments and ab initio simulations | Santra, Biswajit; Ko, Hsin-Yu; Yeh, Yao-Wen; Martelli, Fausto; Kaganovich, Igor; et al |
| 18-May-2018 | Thermal expansion in dispersion-bound molecular crystals | Ko, Hsin-Yu; DiStasio, Robert A; Santra, Biswajit; Car, Roberto |