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1
Molecular dynamics simulations proceedings of the 13th Taniguchi Symposium, Kashikojima, Japan, November 6-9, 1990
Molecular dynamics simulations proceedings of the 13th Taniguchi Symposium, Kashikojima, Japan, November 6-9, 1990
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Molecular dynamics simulations proceedings of the 13th Taniguchi Symposium, Kashikojima, Japan, November 6-9, 1990

Taniguchi International Symposium on the Theory of Condensed Matter (13th 1990 Kashikojima) F Yonezawa (Fumiko)

Berlin Springer-Verlag New York c1992

Localização: CQ - Conjunto das Químicas    (530.41 M718 )(Acessar)

2
Coarse-graining of condensed phase and biomolecular systems
Coarse-graining of condensed phase and biomolecular systems
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Coarse-graining of condensed phase and biomolecular systems

Gregory A Voth

Boca Raton Taylor & Francis 2009

Localização: ICB - Inst. Ciências Biomédicas    (QA76.9 C652g 2009 )(Acessar)

3
Complex dynamics of glass-forming liquids : a mode-coupling theory
Complex dynamics of glass-forming liquids : a mode-coupling theory
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Complex dynamics of glass-forming liquids : a mode-coupling theory

Wolfgang. Götze

Oxford : Oxford University Press 2009

Localização: CQ - Conjunto das Químicas    (532.05 G687c ) e outros locais(Acessar)

4
The Onset of Molecule‐Spanning Dynamics in Heat Shock Protein Hsp90
The Onset of Molecule‐Spanning Dynamics in Heat Shock Protein Hsp90
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The Onset of Molecule‐Spanning Dynamics in Heat Shock Protein Hsp90

Sohmen, Benedikt ; Beck, Christian ; Frank, Veronika ; Seydel, Tilo ; Hoffmann, Ingo ; Hermann, Bianca ; Nüesch, Mark ; Grimaldo, Marco ; Schreiber, Frank ; Wolf, Steffen ; Roosen‐Runge, Felix ; Hugel, Thorsten

Advanced science, 2023-12, Vol.10 (36), p.e2304262-n/a [Periódico revisado por pares]

Germany: John Wiley & Sons, Inc

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5
The effect of polymorphism on the structural, dynamic and dielectric properties of plastic crystal water: A molecular dynamics simulation perspective
The effect of polymorphism on the structural, dynamic and dielectric properties of plastic crystal water: A molecular dynamics simulation perspective
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The effect of polymorphism on the structural, dynamic and dielectric properties of plastic crystal water: A molecular dynamics simulation perspective

Skarmoutsos, Ioannis ; Mossa, Stefano ; Guardia, Elvira

The Journal of chemical physics, 2019-03, Vol.150 (12), p.124506-124506 [Periódico revisado por pares]

United States: American Institute of Physics

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6
Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems
Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems
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Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems

Gkeka, Paraskevi ; Stoltz, Gabriel ; Barati Farimani, Amir ; Belkacemi, Zineb ; Ceriotti, Michele ; Chodera, John D ; Dinner, Aaron R ; Ferguson, Andrew L ; Maillet, Jean-Bernard ; Minoux, Hervé ; Peter, Christine ; Pietrucci, Fabio ; Silveira, Ana ; Tkatchenko, Alexandre ; Trstanova, Zofia ; Wiewiora, Rafal ; Lelièvre, Tony

Journal of chemical theory and computation, 2020-08, Vol.16 (8), p.4757-4775 [Periódico revisado por pares]

United States: American Chemical Society

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7
Polyply; a python suite for facilitating simulations of macromolecules and nanomaterials
Polyply; a python suite for facilitating simulations of macromolecules and nanomaterials
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Polyply; a python suite for facilitating simulations of macromolecules and nanomaterials

Grünewald, Fabian ; Alessandri, Riccardo ; Kroon, Peter C ; Monticelli, Luca ; Souza, Paulo C T ; Marrink, Siewert J

Nature communications, 2022-01, Vol.13 (1), p.68-12, Article 68 [Periódico revisado por pares]

England: Nature Publishing Group

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8
Path-integral simulation of solids
Path-integral simulation of solids
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Path-integral simulation of solids

Herrero, C P ; Ramírez, R

Journal of physics. Condensed matter, 2014-06, Vol.26 (23), p.233201-233201 [Periódico revisado por pares]

England: IOP Publishing

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9
Ordered water layers by interfacial charge decoration leading to an ultra-low Kapitza resistance between graphene and water
Ordered water layers by interfacial charge decoration leading to an ultra-low Kapitza resistance between graphene and water
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Ordered water layers by interfacial charge decoration leading to an ultra-low Kapitza resistance between graphene and water

Ma, Yali ; Zhang, Zhongwei ; Chen, Jige ; Sääskilahti, Kimmo ; Volz, Sebastian ; Chen, Jie

Carbon (New York), 2018-08, Vol.135, p.263-269 [Periódico revisado por pares]

New York: Elsevier Ltd

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10
The role of microfaceting in heteroepitaxial interfaces
The role of microfaceting in heteroepitaxial interfaces
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The role of microfaceting in heteroepitaxial interfaces

Chatain, D. ; Radmilovic, V. ; Wynblatt, P. ; Dahmen, U.

Acta materialia, 2024-09, Vol.276 (C), p.120155, Article 120155 [Periódico revisado por pares]

United States: Elsevier Ltd

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