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The Harmonic and Gaussian Approximations in the Potential Energy Landscape Formalism for Quantum Liquids. [PDF]
J Chem Theory ComputZhou Y, Lopez GE, Giovambattista N.
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Multi-Level Protocol for Mechanistic Reaction Studies Using Semi-Local Fitted Potential Energy Surfaces. [PDF]
Int J Mol SciPiskor T, Pinski P, Mast T, Rybkin V.
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Implementation and Validation of an OpenMM Plugin for the Deep Potential Representation of Potential Energy. [PDF]
Int J Mol SciDing Y, Huang J.
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Mixed Metal Amide-Hydride Solid Solutions for Potential Energy Storage Applications. [PDF]
Inorg ChemLe TT +6 more
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Potentials and potential energies of systemic yoyos
Kybernetes, 2010PurposeThe purpose of this paper is to explore the quantitative properties of systemic yoyos both with and without their internal structures.Design/methodology/approachThis entire paper is based on the idea of the infinitesimals so that some of the well‐developed concepts and methods of calculus can be adequately employed to address some of the local ...
Xiaoya He, Yi Lin 0001
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Potential Energy and Free Energy Landscapes
The Journal of Physical Chemistry B, 2006Familiar concepts for small molecules may require reinterpretation for larger systems. For example, rearrangements between geometrical isomers are usually considered in terms of transitions between the corresponding local minima on the underlying potential energy surface, V.
David J, Wales, Tetyana V, Bogdan
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Current Opinion in Structural Biology, 1995
When energy is a critical quantity, accurate biomolecular simulations rest in substantial part on accurate potential energy functions (force fields). Improvements in methodology for determining parameters--particularly, in the systematic use of computational data obtained from quantum chemical calculations--and enhancements in functional form are ...
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When energy is a critical quantity, accurate biomolecular simulations rest in substantial part on accurate potential energy functions (force fields). Improvements in methodology for determining parameters--particularly, in the systematic use of computational data obtained from quantum chemical calculations--and enhancements in functional form are ...
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Energy Potential Mapping for Energy-Producing Neighborhoods
International Journal of Sustainable Building Technology and Urban Development, 2011Over the past five years, the method of energy potential mapping (EPM) has evolved from a cartoonish charting of climatic features with energy consequences to a detailed methodology for the development of spatial plans based on energy-effective foundations.
van den Dobbelsteen, A. +2 more
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Mapping potential energy surfaces
The Journal of Chemical Physics, 2004A recently proposed dynamical method [A. Laio and M. Parrinello, Proc. Natl. Acad. Sci. U.S.A. 99, 12562 (2002)] allows us to globally sample the free energy surface. This approach uses a coarse-grained non-Markovian dynamics to bias microscopic atomic trajectories.
Yudong, Wu +2 more
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The potential energy of knowledge flow
Concurrency and Computation: Practice and Experience, 2006AbstractA knowledge flow is invisible but it plays an important role in ordering knowledge exchange when working in a team. It can help achieve effective team knowledge management by modeling, optimizing, monitoring, and controlling the operation of knowledge flow processes. This paper proposes the notion of knowledge energy as the driving force behind
Hai Zhuge, Weiyu Guo, Xiang Li
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