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The Journal of Chemical Physics
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March 15, 2022
How good are polarizable and flexible models for water: Insights from a many-body perspective
Eleftherios Lambros, Francesco Paesani
Journal of Chemical Theory and Computation
|
May 26, 2021
Assessing the Accuracy of the SCAN Functional for Water through a Many-Body Analysis of the Adiabatic Connection Formula
Eleftherios Lambros, Jie Hu, Francesco Paesani
The Journal of Chemical Physics
|
April 30, 2022
Density functional theory of waterwith the machine-learned DM21 functional
Etienne Palos, Eleftherios Lambros, Saswata Dasgupta, et al.
Nature Communications
|
November 5, 2021
Elevating density functional theory to chemical accuracy for water simulations through a density-corrected many-body formalism
Saswata Dasgupta, Eleftherios Lambros, John P Perdew, et al.
Journal of Chemical Theory and Computation
|
November 20, 2020
A Many-Body, Fully Polarizable Approach to QM/MM Simulations
Eleftherios Lambros, Filippo Lipparini, Gerardo Andrés Cisneros, et al.
Journal of Chemical Theory and Computation
|
June 17, 2023
Nuclear-Electronic Orbital QM/MM Approach: Geometry Optimizations and Molecular Dynamics
Mathew Chow, Eleftherios Lambros, Xiaosong Li, et al.
The Journal of Physical Chemistry Letters
|
April 8, 2024
A Many-Body Perspective of Nuclear Quantum Effects in Aqueous Clusters
Eleftherios Lambros, Jonathan H Fetherolf, Sharon Hammes-Schiffer, et al.
The Journal of Physical Chemistry Letters
|
March 21, 2023
Solvent Induced Proton Polarization within the Nuclear-Electronic Orbital Framework
Eleftherios Lambros, Benjamin Link, Mathew Chow, et al.
Journal of Chemical Theory and Computation
|
December 13, 2023
Exploring Locality in Molecular Dirac-Coulomb-Breit Calculations: A Perspective
Can Liao, Eleftherios Lambros, Qiming Sun, et al.
Journal of Chemical Theory and Computation
|
August 9, 2021
General Many-Body Framework for Data-Driven Potentials with Arbitrary Quantum Mechanical Accuracy: Water as a Case Study
Eleftherios Lambros, Saswata Dasgupta, Etienne Palos, et al.
Page
of 2
Search research articles
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Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
March 15, 2022
How good are polarizable and flexible models for water: Insights from a many-body perspective
Eleftherios Lambros, Francesco Paesani
Journal of Chemical Theory and Computation
|
May 26, 2021
Assessing the Accuracy of the SCAN Functional for Water through a Many-Body Analysis of the Adiabatic Connection Formula
Eleftherios Lambros, Jie Hu, Francesco Paesani
The Journal of Chemical Physics
|
April 30, 2022
Density functional theory of waterwith the machine-learned DM21 functional
Etienne Palos, Eleftherios Lambros, Saswata Dasgupta, et al.
Nature Communications
|
November 5, 2021
Elevating density functional theory to chemical accuracy for water simulations through a density-corrected many-body formalism
Saswata Dasgupta, Eleftherios Lambros, John P Perdew, et al.
Journal of Chemical Theory and Computation
|
November 20, 2020
A Many-Body, Fully Polarizable Approach to QM/MM Simulations
Eleftherios Lambros, Filippo Lipparini, Gerardo Andrés Cisneros, et al.
Journal of Chemical Theory and Computation
|
June 17, 2023
Nuclear-Electronic Orbital QM/MM Approach: Geometry Optimizations and Molecular Dynamics
Mathew Chow, Eleftherios Lambros, Xiaosong Li, et al.
The Journal of Physical Chemistry Letters
|
April 8, 2024
A Many-Body Perspective of Nuclear Quantum Effects in Aqueous Clusters
Eleftherios Lambros, Jonathan H Fetherolf, Sharon Hammes-Schiffer, et al.
The Journal of Physical Chemistry Letters
|
March 21, 2023
Solvent Induced Proton Polarization within the Nuclear-Electronic Orbital Framework
Eleftherios Lambros, Benjamin Link, Mathew Chow, et al.
Journal of Chemical Theory and Computation
|
December 13, 2023
Exploring Locality in Molecular Dirac-Coulomb-Breit Calculations: A Perspective
Can Liao, Eleftherios Lambros, Qiming Sun, et al.
Journal of Chemical Theory and Computation
|
August 9, 2021
General Many-Body Framework for Data-Driven Potentials with Arbitrary Quantum Mechanical Accuracy: Water as a Case Study
Eleftherios Lambros, Saswata Dasgupta, Etienne Palos, et al.
Page
of 2