E-LIB Suche - Ergebnisse für: Car, Roberto

1

Ab initio generalized Langevin equation:

Xie, Pinchen ; Car, Roberto ; E, Weinan
Proceedings of the National Academy of Sciences. 121 (2024) 14 - p. , 2024

2

A first-principles machine-learning force field for heterog..:

Piaggi, Pablo M. ; Selloni, Annabella ; Panagiotopoulos, Athanassios Z...
Faraday Discussions. 249 (2024) - p. 98-113 , 2024

Link: https://doi.org/10.1039/..

3

Probing the self-ionization of liquid water with ab initio ..:

Calegari Andrade, Marcos ; Car, Roberto ; Selloni, Annabella
Proceedings of the National Academy of Sciences. 120 (2023) 46 - p. , 2023

Link: https://doi.org/10.1073/..

4

Hybrid Auxiliary Field Quantum Monte Carlo for Molecular Sy..:

Chen, Yixiao ; Zhang, Linfeng ; E, Weinan.
Journal of Chemical Theory and Computation. 19 (2023) 14 - p. 4484-4493 , 2023

Link: https://doi.org/10.1021/..

5

First-Principles-Based Machine Learning Models for Phase Be..:

Mathur, Reha ; Muniz, Maria Carolina ; Yue, Shuwen..
The Journal of Physical Chemistry B. 127 (2023) 20 - p. 4562-4569 , 2023

Link: https://doi.org/10.1021/..

6

Critical behavior in a chiral molecular model:

Piaggi, Pablo M. ; Car, Roberto ; Stillinger, Frank H..
The Journal of Chemical Physics. 159 (2023) 11 - p. , 2023

Link: https://doi.org/10.1063/..

7

Neural Network Water Model Based on the MB-Pol Many-Body Po..:

Muniz, Maria Carolina ; Car, Roberto ; Panagiotopoulos, Athanassios Z.
The Journal of Physical Chemistry B. 127 (2023) 42 - p. 9165-9171 , 2023

Link: https://doi.org/10.1021/..

8

Melting curves of ice polymorphs in the vicinity of the liq..:

Piaggi, Pablo M. ; Gartner III, Thomas E. ; Car, Roberto.
The Journal of Chemical Physics. 159 (2023) 5 - p. , 2023

Link: https://doi.org/10.1063/..

9

Thermal Conductivity of Water at Extreme Conditions:

Zhang, Cunzhi ; Puligheddu, Marcello ; Zhang, Linfeng..
The Journal of Physical Chemistry B. 127 (2023) 31 - p. 7011-7017 , 2023

Link: https://doi.org/10.1021/..

10

Characterizing Structure-Dependent TiS2/Water Interfaces Us..:

Li, Lesheng ; Calegari Andrade, Marcos F. ; Car, Roberto..
The Journal of Physical Chemistry C. 127 (2023) 20 - p. 9750-9758 , 2023

Link: https://doi.org/10.1021/..

11

Molecular Rotations, Multiscale Order, Hyperuniformity, and..:

Formanek, Maud ; Torquato, Salvatore ; Car, Roberto.
The Journal of Physical Chemistry B. 127 (2023) 17 - p. 3946-3957 , 2023

Link: https://doi.org/10.1021/..

12

Homogeneous ice nucleation in an ab initio machine-learning..:

Piaggi, Pablo M. ; Weis, Jack ; Panagiotopoulos, Athanassios Z...
Proceedings of the National Academy of Sciences. 119 (2022) 33 - p. , 2022

Link: https://doi.org/10.1073/..

13

Liquid-Liquid Transition in Water from First Principles:

Gartner, Thomas E. ; Piaggi, Pablo M. ; Car, Roberto..
Physical Review Letters. 129 (2022) 25 - p. , 2022

Link: https://doi.org/10.1103/..

14

Viscosity in water from first-principles and deep-neural-ne..:

Malosso, Cesare ; Zhang, Linfeng ; Car, Roberto..
npj Computational Materials. 8 (2022) 1 - p. , 2022

Link: https://doi.org/10.1038/..

15

Phase diagram of the TIP4P/Ice water model by enhanced samp..:

Bore, Sigbjørn L. ; Piaggi, Pablo M. ; Car, Roberto.
The Journal of Chemical Physics. 157 (2022) 5 - p. , 2022

Link: https://doi.org/10.1063/..