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Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
February 13, 2018
Dynamic simulations of many-body electrostatic self-assembly
Eric B Lindgren, Benjamin Stamm, Yvon Maday, et al.
The Journal of Physical Chemistry. B
|
September 10, 2025
The Accommodation of Excess Charge in Binary Particle Lattices: A Many-Body Electrostatic Study
Holly Avis, Eric B Lindgren, Benjamin Stamm, et al.
The Journal of Physical Chemistry Letters
|
October 25, 2023
A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics
Federica Pes, Étienne Polack, Patrizia Mazzeo, et al.
Journal of Colloid and Interface Science
|
February 28, 2024
The significance of multipole interactions for the stability of regular structures composed from charged particles
Eric B Lindgren, Holly Avis, Abigail Miller, et al.
Journal of Chemical Theory and Computation
|
September 8, 2022
Manipulating Interactions between Dielectric Particles with Electric Fields: A General Electrostatic Many-Body Framework
Muhammad Hassan, Connor Williamson, Joshua Baptiste, et al.
Journal of Chemical Theory and Computation
|
January 11, 2017
Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular Simulations
Félix Aviat, Antoine Levitt, Benjamin Stamm, et al.
Journal of Chemical Theory and Computation
|
October 30, 2015
Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II.Towards Massively Parallel Computations using Smooth Particle Mesh Ewald
Louis Lagardère, Filippo Lipparini, Étienne Polack, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Scalable evaluation of polarization energy and associated forces in polarizable molecular dynamics: II. Toward massively parallel computations using smooth particle mesh Ewald
Louis Lagardère, Filippo Lipparini, Étienne Polack, et al.
The Journal of Physical Chemistry Letters
|
August 14, 2015
Quantum Calculations in Solution for Large to Very Large Molecules: A New Linear Scaling QM/Continuum Approach
Filippo Lipparini, Louis Lagardère, Giovanni Scalmani, et al.
The Journal of Chemical Physics
|
November 17, 2014
Quantum, classical, and hybrid QM/MM calculations in solution: general implementation of the ddCOSMO linear scaling strategy
Filippo Lipparini, Giovanni Scalmani, Louis Lagardère, et al.
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Search research articles
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Showing results (21-30 of 32) with videos related to
Sort By:
Page
of 4
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
February 13, 2018
Dynamic simulations of many-body electrostatic self-assembly
Eric B Lindgren, Benjamin Stamm, Yvon Maday, et al.
The Journal of Physical Chemistry. B
|
September 10, 2025
The Accommodation of Excess Charge in Binary Particle Lattices: A Many-Body Electrostatic Study
Holly Avis, Eric B Lindgren, Benjamin Stamm, et al.
The Journal of Physical Chemistry Letters
|
October 25, 2023
A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics
Federica Pes, Étienne Polack, Patrizia Mazzeo, et al.
Journal of Colloid and Interface Science
|
February 28, 2024
The significance of multipole interactions for the stability of regular structures composed from charged particles
Eric B Lindgren, Holly Avis, Abigail Miller, et al.
Journal of Chemical Theory and Computation
|
September 8, 2022
Manipulating Interactions between Dielectric Particles with Electric Fields: A General Electrostatic Many-Body Framework
Muhammad Hassan, Connor Williamson, Joshua Baptiste, et al.
Journal of Chemical Theory and Computation
|
January 11, 2017
Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular Simulations
Félix Aviat, Antoine Levitt, Benjamin Stamm, et al.
Journal of Chemical Theory and Computation
|
October 30, 2015
Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II.Towards Massively Parallel Computations using Smooth Particle Mesh Ewald
Louis Lagardère, Filippo Lipparini, Étienne Polack, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Scalable evaluation of polarization energy and associated forces in polarizable molecular dynamics: II. Toward massively parallel computations using smooth particle mesh Ewald
Louis Lagardère, Filippo Lipparini, Étienne Polack, et al.
The Journal of Physical Chemistry Letters
|
August 14, 2015
Quantum Calculations in Solution for Large to Very Large Molecules: A New Linear Scaling QM/Continuum Approach
Filippo Lipparini, Louis Lagardère, Giovanni Scalmani, et al.
The Journal of Chemical Physics
|
November 17, 2014
Quantum, classical, and hybrid QM/MM calculations in solution: general implementation of the ddCOSMO linear scaling strategy
Filippo Lipparini, Giovanni Scalmani, Louis Lagardère, et al.
Page
of 4