E-LIB Suche - Ergebnisse für: Lambros, Eleftherios

1

A Many-Body Perspective of Nuclear Quantum Effects in Aqueo..:

Lambros, Eleftherios ; Fetherolf, Jonathan H. ; Hammes-Schiffer, Sharon.
The Journal of Physical Chemistry Letters. 15 (2024) 15 - p. 4070-4075 , 2024

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

2

Solvent Induced Proton Polarization within the Nuclear−Elec..:

Lambros, Eleftherios ; Link, Benjamin ; Chow, Mathew..
The Journal of Physical Chemistry Letters. 14 (2023) 12 - p. 2990-2995 , 2023

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

3

Nuclear–Electronic Orbital QM/MM Approach: Geometry Optimiz..:

Chow, Mathew ; Lambros, Eleftherios ; Li, Xiaosong.
Journal of Chemical Theory and Computation. 19 (2023) 13 - p. 3839-3848 , 2023

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

4

Assessing Implicit and Explicit Polarizable Solvation Model..:

Lambros, Eleftherios ; Link, Benjamin ; Chow, Mathew...
The Journal of Physical Chemistry A. 127 (2023) 44 - p. 9322-9333 , 2023

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

5

Exploring Locality in Molecular Dirac-Coulomb-Breit Calcula..:

Liao, Can ; Lambros, Eleftherios ; Sun, Qiming..
Journal of Chemical Theory and Computation. , 2023

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

6

Exploring Locality in Molecular Dirac-Coulomb-Breit Calcula..:

Can Liao ; Eleftherios Lambros ; Qiming Sun..
doi:10.1021/acs.jctc.3c01012.s001. , 2023

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

7

Anomalies and Local Structure of Liquid Water from Boiling ..:

Gartner III, Thomas E. ; Hunter, Kelly M. ; Lambros, Eleftherios...
The Journal of Physical Chemistry Letters. 13 (2022) 16 - p. 3652-3658 , 2022

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

8

Density functional theory of water with the machine-learned..:

Palos, Etienne ; Lambros, Eleftherios ; Dasgupta, Saswata.
The Journal of Chemical Physics. 156 (2022) 16 - p. , 2022

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

9

Assessing the Interplay between Functional-Driven and Densi..:

Palos, Etienne ; Lambros, Eleftherios ; Swee, Steven...
Journal of Chemical Theory and Computation. 18 (2022) 6 - p. 3410-3426 , 2022

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

10

Many-Body Approaches Towards Elevating Pure and Hybrid Ab-I..:

Lambros, Eleftherios
qt8tr9m6mc. , 2022

Link: https://escholarship.org..

11

General Many-Body Framework for Data-Driven Potentials with..:

Lambros, Eleftherios ; Dasgupta, Saswata ; Palos, Etienne...
Journal of Chemical Theory and Computation. 17 (2021) 9 - p. 5635-5650 , 2021

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

12

Highly Accurate Many-Body Potentials for Simulations of N2O..:

Cruzeiro, Vinícius Wilian D. ; Lambros, Eleftherios ; Riera, Marc...
Journal of Chemical Theory and Computation. 17 (2021) 7 - p. 3931-3945 , 2021

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

13

5G UFMC Scheme Performance with Different Numerologies:

Sakkas, Lambros ; Stergiou, Eleftherios ; Tsoumanis, Georgios.
Electronics. 10 (2021) 16 - p. 1915 , 2021

Link: https://doi.org/10.3390/..

14

Elevating density functional theory to chemical accuracy fo..:

Dasgupta, Saswata ; Lambros, Eleftherios ; Perdew, John P..
Nature Communications. 12 (2021) 1 - p. , 2021

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

15

Assessing the Accuracy of the SCAN Functional for Water thr..:

Lambros, Eleftherios ; Hu, Jie ; Paesani, Francesco
Journal of Chemical Theory and Computation. 17 (2021) 6 - p. 3739-3749 , 2021

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