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Publication DateArticle TitleAuthor(s)
Oct-2011Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High PressuresSantra, Biswajit; Klimeš, Jiří; Alfè, Dario; Tkatchenko, Alexandre; Slater, Ben; et al
27-Oct-2020Hydrogen Dynamics in Supercritical Water Probed by Neutron Scattering and Computer SimulationsAndreani, Carla; Romanelli, Giovanni; Parmentier, Alexandra; Senesi, Roberto; Kolesnikov, Alexander I; et al
Dec-2017In situ Characterization of Nanoparticles Using Rayleigh ScatteringSantra, Biswajit; Shneider, Mikhail N.; Car, Roberto
28-Aug-2014The individual and collective effects of exact exchange and dispersion interactions on the ab initio structure of liquid waterDiStasio, Robert A. Jr.; Santra, Biswajit; Li, Zhaofeng; Wu, Xifan; Car, Roberto
6-Jul-2020Influence of point defects on the electronic and topological properties of monolayer WTe2Muechler, Lukas; Hu, Wei; Lin, Lin; Yang, Chao; Car, Roberto
Feb-2016Inverse design of disordered stealthy hyperuniform spin chainsChertkov, Eli; DiStasio, Robert A. Jr.; Zhang, Ge; Car, Roberto; Torquato, Salvatore
15-Oct-2019Isotope effects in liquid water via deep potential molecular dynamicsKo, Hsin-Yu; Zhang, Linfeng; Santra, Biswajit; Wang, Han; E, Weinan; et al
29-Sep-2017Large-Scale Structure and Hyperuniformity of Amorphous IcesMartelli, Fausto; Torquato, Salvatore; Giovambattista, Nicolás; Car, Roberto
6-Jul-2015Local structure analysis in ab initio liquid waterSantra, Biswajit; DiStasio, Robert A; Martelli, Fausto; Car, Roberto
12-Feb-2018Local-order metric for condensed-phase environmentsMartelli, Fausto; Ko, Hsin-Yu; Oğuz, Erdal C; Car, Roberto
7-Jun-2021Manifestations of metastable criticality in the long-range structure of model water glassesGartner, Thomas E; Torquato, Salvatore; Car, Roberto; Debenedetti, Pablo G
13-May-2022Many-body effects in the X-ray absorption spectra of liquid waterTang, Fujie; Li, Zhenglu; Zhang, Chunyi; Louie, Steven G; Car, Roberto; et al
2-Feb-2017Migration of a carbon adatom on a charged single-walled carbon nanotubeHan, Longtao; Krstic, Predrag; Kaganovich, Igor; Car, Roberto
3-Nov-2020Monte Carlo Renormalization Group for Classical Lattice Models with Quenched DisorderWu, Yantao; Car, Roberto
15-Dec-2014Möbius molecules and fragile Mott insulatorsMuechler, Lukas; Maciejko, Joseph; Neupert, Titus; Car, Roberto
10-Oct-2018Occupation probabilities as variables in electronic structure theory: cooper pairing, OP-NSOFT-Cs,t, and the homogeneous electron liquidGebauer, Ralph; Cohen, Morrel H; Car, Roberto
21-Oct-2013On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressuresSantra, Biswajit; Klimeš, Jiří; Tkatchenko, Alexandre; Alfè, Dario; Slater, Ben; et al
5-Feb-2013Oxygen tolerance of an in silico-designed bioinspired hydrogen-evolving catalyst in waterSit, Patrick H.- L.; Car, Roberto; Cohen, Morrel H.; Selloni, Annabella
21-Dec-2016Performance of a nonempirical density functional on molecules and hydrogen-bonded complexesMo, Yuxiang; Tian, Guocai; Car, Roberto; Staroverov, Viktor N.; Scuseria, Gustavo E.; et al
9-Jun-2021Phase Diagram of a Deep Potential Water ModelZhang, Linfeng; Wang, Han; Car, Roberto; E, Weinan