(Q43522550)

24 November 2017

title

Neural networks for local structure detection in polymorphic systems (English)

1 reference

24 November 2017

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24182002%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

author name string

Philipp Geiger

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24182002%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

language of work or name

English

0 references

publication date

1 October 2013

1 reference

Journal of Chemical Physics

24 November 2017

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24182002%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

volume

139

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24182002%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

issue

16

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24182002%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

page(s)

164105

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24182002%20AND%20SRC:MED&resulttype=core&format=json

Escaping free-energy minima

4 June 2020

cites work

1 reference

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21 January 2018

1 reference

Nucleation of hexagonal ice (Ih) in liquid water.

21 January 2018

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Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water.

21 January 2018

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Homogeneous ice nucleation at moderate supercooling from molecular simulation

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Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations

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Learning representations by back-propagating errors

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Training feedforward networks with the Marquardt algorithm.

21 January 2018

1 reference

A fast U-D factorization-based learning algorithm with applications to nonlinear system modeling and identification

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A potential model for the study of ices and amorphous water: TIP4P/Ice.

21 January 2018

1 reference

Simulating water with rigid non-polarizable models: a general perspective

21 January 2018

1 reference

Time reversible and symplectic integrators for molecular dynamics simulations of rigid molecules.

21 January 2018

1 reference

Canonical dynamics: Equilibrium phase-space distributions

21 January 2018

1 reference

Molecular dynamics simulations at constant pressure and/or temperature

21 January 2018

1 reference

Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies

21 January 2018

1 reference

On a nearly proton-ordered structure for ice IX

21 January 2018

1 reference

The Preparation and Structures of Hydrogen Ordered Phases of Ice

21 January 2018

1 reference

Optimized Verlet-like algorithms for molecular dynamics simulations.

21 January 2018

1 reference

Water modeled as an intermediate element between carbon and silicon

21 January 2018

1 reference

Simulation of homogeneous crystal nucleation close to coexistence

21 January 2018

1 reference

Numerical Simulation of Crystal Nucleation in Colloids

21 January 2018

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Challenges in molecular simulation of homogeneous ice nucleation

21 January 2018

1 reference

Hybrid Monte Carlo method for condensed-matter systems

21 January 2018

1 reference

Relationship between structural order and the anomalies of liquid water

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.4825111

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24182002%20AND%20SRC:MED&resulttype=core&format=json

4 June 2020

1 reference