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Some improvements of the activation-relaxation technique method for finding transition pathways on potential energy surfaces

The Journal of chemical physics, 2009-03, Vol.130 (11), p.114711-114711

2009

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Some variance reduction methods for numerical stochastic homogenization

Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 2016-04, Vol.374 (2066), p.20150168

2016

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Finite-Temperature Quasi-Continuum

Applied mechanics reviews, 2013-01, Vol.65 (1)

2013

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A numerical strategy for coarse-graining two-dimensional atomistic models at finite temperature: The membrane case

Computational materials science, 2013-01, Vol.66, p.84-95

2013

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Combining a reactive potential with a harmonic approximation for molecular dynamics simulation of failure: construction of a reduced potential

Journal of physics. Conference series, 2015, Vol.574 (1), p.12041-5

2015

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An accurate scheme to solve cluster dynamics equations using a Fokker–Planck approach

Computer physics communications, 2016-10, Vol.207, p.170-178

2016

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Some variance reduction methods for numerical stochastic homogenization

Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 2016-04, Vol.374 (2066), p.1-15

2016

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Symplectic schemes for highly oscillatory Hamiltonian systems: the homogenization approach beyond the constant frequency case

IMA journal of numerical analysis, 2013-01, Vol.33 (1), p.30-56

2013

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Asymptotic Behavior of Green Functions of Divergence form Operators with Periodic Coefficients

Applied mathematics research express, 2013-01, Vol.2013, p.79-101

2013

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Analysis of a prototypical multiscale method coupling atomistic and continuum mechanics

ESAIM: Mathematical Modelling and Numerical Analysis, 2005-07, Vol.39 (4), p.797-826

2005

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Finite-Temperature Coarse-Graining of One-Dimensional Models: Mathematical Analysis and Computational Approaches

Journal of nonlinear science, 2010, Vol.20 (2), p.241-275

2010

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Some improvements of the activation-relaxation technique methodfor finding transition pathways on potential energy surfaces

The Journal of chemical physics, 2009-03, Vol.130 (11), p.114711-114711-6

2009

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Designing reversible measure invariant algorithms with applications to molecular dynamics

The Journal of chemical physics, 2002-12, Vol.117 (23), p.10452-10464

2002

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High-order averaging schemes with error bounds for thermodynamical properties calculations by molecular dynamics simulations

The Journal of chemical physics, 2004-12, Vol.121 (21), p.10346-10355

2004

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Long-time averaging for integrable hamiltonian dynamics

Numerische Mathematik, 2005-04, Vol.100 (2), p.211-232

2005

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Multiscale Finite Element approach for “weakly” random problems and related issues

ESAIM: Mathematical Modelling and Numerical Analysis, 2014-05, Vol.48 (3), p.815-858

2014

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Some improvements of the ART method for finding transition pathways on potential energy surfaces

The Journal of chemical physics, 2009, Vol.130

2009

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Synthesis, crystal structure and magnetic properties of a dinuclear copper( II ) complex with 1,1′-(4-methylpyrazole-3,5-diyl)diacetaldehyde dioxime. Evidence for both classical and zwitterion structures

Journal of the Chemical Society. Dalton transactions, 1993 (11), p.1707-1711

1993

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ChemInform Abstract: Magnetic Behavior of Vanadyl Chains in Zn2VO(PO4)2

ChemInform, 1993-05, Vol.24 (20), p.no-no

1993

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Some improvements of the activation-relaxation technique method for finding transition pathways on potential energy surfaces

Some variance reduction methods for numerical stochastic homogenization

Finite-Temperature Quasi-Continuum

A numerical strategy for coarse-graining two-dimensional atomistic models at finite temperature: The membrane case

Combining a reactive potential with a harmonic approximation for molecular dynamics simulation of failure: construction of a reduced potential

An accurate scheme to solve cluster dynamics equations using a Fokker–Planck approach

Some variance reduction methods for numerical stochastic homogenization

Symplectic schemes for highly oscillatory Hamiltonian systems: the homogenization approach beyond the constant frequency case

Asymptotic Behavior of Green Functions of Divergence form Operators with Periodic Coefficients

Analysis of a prototypical multiscale method coupling atomistic and continuum mechanics

Finite-Temperature Coarse-Graining of One-Dimensional Models: Mathematical Analysis and Computational Approaches

Some improvements of the activation-relaxation technique methodfor finding transition pathways on potential energy surfaces

Designing reversible measure invariant algorithms with applications to molecular dynamics

High-order averaging schemes with error bounds for thermodynamical properties calculations by molecular dynamics simulations

Long-time averaging for integrable hamiltonian dynamics

Multiscale Finite Element approach for “weakly” random problems and related issues

Some improvements of the ART method for finding transition pathways on potential energy surfaces

Synthesis, crystal structure and magnetic properties of a dinuclear copper( II ) complex with 1,1′-(4-methylpyrazole-3,5-diyl)diacetaldehyde dioxime. Evidence for both classical and zwitterion structures

ChemInform Abstract: Magnetic Behavior of Vanadyl Chains in Zn2VO(PO4)2

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