Sergei Izvekov

发表

Efficient, Regularized, and Scalable Algorithms for Multiscale Coarse-Graining.

Gregory A Voth, Lanyuan Lu, Sergei Izvekov, 2010, Journal of chemical theory and computation.

Toward a Predictive Hierarchical Multiscale Modeling Approach for Energetic Materials

Betsy M. Rice, Brian C. Barnes, James P. Larentzos, 2019, Computational Approaches for Chemistry Under Extreme Conditions.

Emerging methods for multiscale simulation of biomolecular systems

Jhih-Wei Chu, Gregory A. Voth, Sergei Izvekov, 2007 .

Multiscale coarse-graining of monosaccharides.

Gregory A Voth, Sergei Izvekov, Pu Liu, 2007, The journal of physical chemistry. B.

Fast centroid molecular dynamics: a force-matching approach for the predetermination of the effective centroid forces.

Gregory A Voth, Sergei Izvekov, G. Voth, 2005, The Journal of chemical physics.

Ab initio molecular-dynamics simulation of aqueous proton solvation and transport revisited.

Gregory A Voth, Sergei Izvekov, G. Voth, 2005, The Journal of chemical physics.

A multiscale coarse-graining method for biomolecular systems.

Gregory A Voth, Sergei Izvekov, G. Voth, 2005, The journal of physical chemistry. B.

Solvent-free lipid bilayer model using multiscale coarse-graining.

Gregory A Voth, Sergei Izvekov, G. Voth, 2009, The journal of physical chemistry. B.

The multiscale coarse-graining method: assessing its accuracy and introducing density dependent coarse-grain potentials.

Sergei Izvekov, Betsy M Rice, B. Rice, 2010, The Journal of chemical physics.

Defining Condensed Phase Reactive Force Fields from ab Initio Molecular Dynamics Simulations: The Case of the Hydrated Excess Proton.

Gregory A Voth, C Mark Maupin, Sergei Izvekov, 2010, Journal of chemical theory and computation.

Are many-body electronic polarization effects important in liquid water?

Gregory A Voth, Sergei Izvekov, Satoru Iuchi, 2007, The Journal of chemical physics.

Multiscale coarse-graining of ionic liquids.

Gregory A Voth, Sergei Izvekov, G. Voth, 2006, The journal of physical chemistry. B.

Mixed Resolution Modeling of Interactions in Condensed-Phase Systems.

Gregory A Voth, Sergei Izvekov, G. Voth, 2009, Journal of chemical theory and computation.

Chapter 7 Multiscale Simulation of Membranes and Membrane Proteins: Connecting Molecular Interactions to Mesoscopic Behavior

Gregory A. Voth, Sergei Izvekov, William George Noid, 2008 .

Multiscale Coarse-Graining of Mixed Phospholipid/Cholesterol Bilayers.

Sergei Izvekov, G. Voth, S. Izvekov, 2006, Journal of chemical theory and computation.

The Multiscale Coarse- Graining Method: A Systematic Approach to Coarse-Graining

Gregory A. Voth, Sergei Izvekov, William George Noid, 2008 .

The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models.

Gregory A Voth, Gary S Ayton, Sergei Izvekov, 2008, The Journal of chemical physics.

Special pair dance and partner selection: elementary steps in proton transport in liquid water.

Gregory A Voth, Noam Agmon, Sergei Izvekov, 2008, The journal of physical chemistry. B.

Multiscale coarse graining of liquid-state systems.

Gregory A Voth, Sergei Izvekov, G. Voth, 2005, The Journal of chemical physics.

Towards an understanding of many-particle effects in hydrophobic association in methane solutions.

Sergei Izvekov, S. Izvekov, 2011, The Journal of chemical physics.

Effective force fields for condensed phase systems from ab initio molecular dynamics simulation: a new method for force-matching.

Gregory A Voth, Michele Parrinello, Sergei Izvekov, 2004, The Journal of chemical physics.

A coarse-grain force field for RDX: Density dependent and energy conserving.

Brian C. Barnes, Sergei Izvekov, Martin Lísal, 2016, The Journal of chemical physics.

Effective force field for liquid hydrogen fluoride from ab initio molecular dynamics simulation using the force-matching method.

Gregory A Voth, Sergei Izvekov, G. Voth, 2005, The journal of physical chemistry. B.

Modeling real dynamics in the coarse-grained representation of condensed phase systems.

Gregory A Voth, Sergei Izvekov, G. Voth, 2006, The Journal of chemical physics.

Multi-scale coarse-graining of non-conservative interactions in molecular liquids.

Sergei Izvekov, Betsy M Rice, B. Rice, 2014, The Journal of chemical physics.

The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models.

Gregory A. Voth, Sergei Izvekov, Avisek Das, 2008, The Journal of chemical physics.

Microscopic derivation of particle-based coarse-grained dynamics.

Sergei Izvekov, S. Izvekov, 2013, The Journal of chemical physics.

Systematic coarse-graining of nanoparticle interactions in molecular dynamics simulation.

Gregory A Voth, Sergei Izvekov, Angela Violi, 2005, The journal of physical chemistry. B.

The effect of temperature on nanoparticle clustering

Sergei Izvekov, Angela Violi, A. Violi, 2007 .