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Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks

The Journal of chemical physics, 2009-04, Vol.130 (13), p.134101-134101-10

2009

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Graphitization as a precursor to wear of diamond in machining pure iron: A molecular dynamics investigation

Computational materials science, 2009-04, Vol.45 (2), p.358-366

2009

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Development of generalized potential-energy surfaces using many-body expansions, neural networks, and moiety energy approximations

The Journal of chemical physics, 2009-05, Vol.130 (18), p.184102-184102-9

2009

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Molecular dynamics (MD) simulation of uniaxial tension of some single-crystal cubic metals at nanolevel

International journal of mechanical sciences, 2001-10, Vol.43 (10), p.2237-2260

2001

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Micromachining of silicon by short-pulse laser ablation in air and under water

Materials science & engineering. A, Structural materials : properties, microstructure and processing, 2004-05, Vol.372 (1), p.145-162

2004

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M.D. Simulation of nanometric cutting of single crystal aluminum–effect of crystal orientation and direction of cutting

Wear, 2000-07, Vol.242 (1), p.60-88

2000

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Effect of tool geometry in nanometric cutting: a molecular dynamics simulation approach

Wear, 1998-08, Vol.219 (1), p.84-97

1998

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Ab initio potential-energy surfaces for complex, multichannel systems using modified novelty sampling and feedforward neural networks

The Journal of chemical physics, 2005-02, Vol.122 (8), p.84104-84104

2005

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Parametrization of analytic interatomic potential functions using neural networks

The Journal of chemical physics, 2008-07, Vol.129 (4), p.044111-044111

2008

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A review on the molecular dynamics simulation of machining at the atomic scale

Proceedings of the Institution of Mechanical Engineers. Part B, Journal of engineering manufacture, 2001-12, Vol.215 (12), p.1639-1672

2001

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Molecular dynamics (MD) simulations of the dependence of C–C bond lengths and bond angles on the tensile strain in single-wall carbon nanotubes (SWCNT)

Computational materials science, 2008-02, Vol.41 (4), p.450-456

2008

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MD simulation of indentation and scratching of single crystal aluminum

Wear, 2000-05, Vol.240 (1), p.113-143

2000

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A Self-Starting Method for Obtaining Analytic Potential-Energy Surfaces from ab Initio Electronic Structure Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-02, Vol.113 (5), p.869-877

2009

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Accurate prediction of higher-level electronic structure energies for large databases using neural networks, Hartree-Fock energies, and small subsets of the database

The Journal of chemical physics, 2009-09, Vol.131 (12), p.124127-124127-12

2009

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A phenomenological model of polishing of silicon with diamond abrasive

Tribology international, 2010-01, Vol.43 (1-2), p.100-107

2010

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Molecular dynamic simulations of uniaxial tension at nanoscale of semiconductor materials for micro-electro-mechanical systems (MEMS) applications

Materials science & engineering. A, Structural materials : properties, microstructure and processing, 2003-01, Vol.340 (1), p.58-67

2003

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MD simulation of exit failure in nanometric cutting

Materials science & engineering. A, Structural materials : properties, microstructure and processing, 2001-07, Vol.311 (1), p.1-12

2001

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The significance of normal rake in oblique machining

International journal of machine tools & manufacture, 2004-08, Vol.44 (10), p.1115-1124

2004

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Molecular dynamics simulations of diffusion of carbon into iron

Philosophical magazine (Abingdon, England), 2008-03, Vol.88 (8), p.1259-1275

2008

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Molecular dynamics investigations on polishing of a silicon wafer with a diamond abrasive

Applied physics. A, Materials science & processing, 2010-07, Vol.100 (1), p.89-104

2010

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Molecular dynamics simulation of the nanometric cutting of silicon

Philosophical magazine. B, Physics of condensed matter. Structural, electronic, optical, and magnetic properties., 2001-12, Vol.81 (12), p.1989-2019

2001

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Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feedforward neural networks. II. Numerical application of the method

The Journal of chemical physics, 2007-10, Vol.127 (13), p.134105-134105-7

2007

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Monte Carlo simulation of nanometric cutting

Philosophical magazine (Abingdon, England), 2004-04, Vol.84 (11), p.1155-1183

2004

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Multiple fetal anomalies associated with subtle subtelomeric chromosomal rearrangements

Ultrasound in obstetrics & gynecology, 2003-06, Vol.21 (6), p.609-615

2003

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Some aspects of machining with negative-rake tools simulating grinding: A molecular dynamics simulation approach

Philosophical magazine. B, Physics of condensed matter. Structural, electronic, optical, and magnetic properties., 1999-07, Vol.79 (7), p.955-968

1999

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Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks

Graphitization as a precursor to wear of diamond in machining pure iron: A molecular dynamics investigation

Development of generalized potential-energy surfaces using many-body expansions, neural networks, and moiety energy approximations

Molecular dynamics (MD) simulation of uniaxial tension of some single-crystal cubic metals at nanolevel

Micromachining of silicon by short-pulse laser ablation in air and under water

M.D. Simulation of nanometric cutting of single crystal aluminum–effect of crystal orientation and direction of cutting

Effect of tool geometry in nanometric cutting: a molecular dynamics simulation approach

Ab initio potential-energy surfaces for complex, multichannel systems using modified novelty sampling and feedforward neural networks

Parametrization of analytic interatomic potential functions using neural networks

A review on the molecular dynamics simulation of machining at the atomic scale

Molecular dynamics (MD) simulations of the dependence of C–C bond lengths and bond angles on the tensile strain in single-wall carbon nanotubes (SWCNT)

MD simulation of indentation and scratching of single crystal aluminum

A Self-Starting Method for Obtaining Analytic Potential-Energy Surfaces from ab Initio Electronic Structure Calculations

Accurate prediction of higher-level electronic structure energies for large databases using neural networks, Hartree-Fock energies, and small subsets of the database

A phenomenological model of polishing of silicon with diamond abrasive

Molecular dynamic simulations of uniaxial tension at nanoscale of semiconductor materials for micro-electro-mechanical systems (MEMS) applications

MD simulation of exit failure in nanometric cutting

The significance of normal rake in oblique machining

Molecular dynamics simulations of diffusion of carbon into iron

Molecular dynamics investigations on polishing of a silicon wafer with a diamond abrasive

Molecular dynamics simulation of the nanometric cutting of silicon

Theoretical investigation of the dissociation dynamics of vibrationally excited vinyl bromide on an ab initio potential-energy surface obtained using modified novelty sampling and feedforward neural networks. II. Numerical application of the method

Monte Carlo simulation of nanometric cutting

Multiple fetal anomalies associated with subtle subtelomeric chromosomal rearrangements

Some aspects of machining with negative-rake tools simulating grinding: A molecular dynamics simulation approach

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