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Surgery of peripheral nerves a case-based approach
Surgery of peripheral nerves a case-based approach
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Surgery of peripheral nerves a case-based approach

Rajiv Midha; Eric L Zager

New York Thieme c2008

Localização: FM - Fac. Medicina    (WL500 S958 2008 ex.1 )(Acessar)

2
Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning
Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning
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Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning

Smith, Justin S ; Nebgen, Benjamin T ; Zubatyuk, Roman ; Lubbers, Nicholas ; Devereux, Christian ; Barros, Kipton ; Tretiak, Sergei ; Isayev, Olexandr ; Roitberg, Adrian E

Nature communications, 2019-07, Vol.10 (1), p.2903-8, Article 2903 [Periódico revisado por pares]

England: Nature Publishing Group

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3
TorchANI: A Free and Open Source PyTorch-Based Deep Learning Implementation of the ANI Neural Network Potentials
TorchANI: A Free and Open Source PyTorch-Based Deep Learning Implementation of the ANI Neural Network Potentials
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TorchANI: A Free and Open Source PyTorch-Based Deep Learning Implementation of the ANI Neural Network Potentials

Gao, Xiang ; Ramezanghorbani, Farhad ; Isayev, Olexandr ; Smith, Justin S ; Roitberg, Adrian E

Journal of chemical information and modeling, 2020-07, Vol.60 (7), p.3408-3415 [Periódico revisado por pares]

United States: American Chemical Society

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4
Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning
Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning
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Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning

Hopkins, Chad W ; Le Grand, Scott ; Walker, Ross C ; Roitberg, Adrian E

Journal of chemical theory and computation, 2015-04, Vol.11 (4), p.1864-1874 [Periódico revisado por pares]

United States: American Chemical Society

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5
Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials
Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials
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Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials

Nelson, Tammie R ; White, Alexander J ; Bjorgaard, Josiah A ; Sifain, Andrew E ; Zhang, Yu ; Nebgen, Benjamin ; Fernandez-Alberti, Sebastian ; Mozyrsky, Dmitry ; Roitberg, Adrian E ; Tretiak, Sergei

Chemical reviews, 2020-02, Vol.120 (4), p.2215-2287 [Periódico revisado por pares]

United States: American Chemical Society

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6
Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials
Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials
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Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials

Nelson, Tammie ; Fernandez-Alberti, Sebastian ; Roitberg, Adrian E ; Tretiak, Sergei

Accounts of chemical research, 2014-04, Vol.47 (4), p.1155-1164 [Periódico revisado por pares]

United States: American Chemical Society

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7
Extending the Applicability of the ANI Deep Learning Molecular Potential to Sulfur and Halogens
Extending the Applicability of the ANI Deep Learning Molecular Potential to Sulfur and Halogens
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Extending the Applicability of the ANI Deep Learning Molecular Potential to Sulfur and Halogens

Devereux, Christian ; Smith, Justin S ; Davis, Kate K ; Barros, Kipton ; Zubatyuk, Roman ; Isayev, Olexandr ; Roitberg, Adrian E

Journal of chemical theory and computation, 2020-07, Vol.16 (7), p.4192-4202 [Periódico revisado por pares]

United States: American Chemical Society

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8
Electronic Delocalization, Vibrational Dynamics, and Energy Transfer in Organic Chromophores
Electronic Delocalization, Vibrational Dynamics, and Energy Transfer in Organic Chromophores
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Electronic Delocalization, Vibrational Dynamics, and Energy Transfer in Organic Chromophores

Nelson, Tammie ; Fernandez-Alberti, Sebastian ; Roitberg, Adrian E ; Tretiak, Sergei

The journal of physical chemistry letters, 2017-07, Vol.8 (13), p.3020-3031 [Periódico revisado por pares]

United States: American Chemical Society

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9
Less is more: Sampling chemical space with active learning
Less is more: Sampling chemical space with active learning
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Less is more: Sampling chemical space with active learning

Smith, Justin S. ; Nebgen, Ben ; Lubbers, Nicholas ; Isayev, Olexandr ; Roitberg, Adrian E.

The Journal of chemical physics, 2018-06, Vol.148 (24), p.241733-241733 [Periódico revisado por pares]

United States: American Institute of Physics

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10
Constant pH Replica Exchange Molecular Dynamics in Explicit Solvent Using Discrete Protonation States: Implementation, Testing, and Validation
Constant pH Replica Exchange Molecular Dynamics in Explicit Solvent Using Discrete Protonation States: Implementation, Testing, and Validation
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Constant pH Replica Exchange Molecular Dynamics in Explicit Solvent Using Discrete Protonation States: Implementation, Testing, and Validation

Swails, Jason M ; York, Darrin M ; Roitberg, Adrian E

Journal of chemical theory and computation, 2014-03, Vol.10 (3), p.1341-1352 [Periódico revisado por pares]

United States: American Chemical Society

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Deste Autor:

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  2. Zager, E

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