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Free-energy perturbation (FEP) is a method based on statistical mechanics that is used in computational chemistry for computing free-energy differences from molecular dynamics or Metropolis Monte Carlo simulations. The FEP method was introduced by Robert W. Zwanzig in 1954. [1]
Front-end loading (FEL), also referred to as Front-End Engineering Design (FEED), Front End Planning (FEP), pre-project planning (PPP), and early project planning, is the process for conceptual development of projects in processing industries such as upstream oil and gas, petrochemical, natural gas refining, extractive metallurgy, waste-to-energy, biotechnology, and pharmaceuticals.
(I) Free energy perturbation (FEP) simulations, (II) empirical valence bond (EVB), calculations of reaction free energies, (III) linear interaction energy (LIE) calculations of receptor-ligand binding affinities Free open source GNU GPLv2 or later Q: QuantumATK: Yes Yes Yes Yes Yes No Yes Yes Yes Complete atomistic modeling platform for ...
1.1 Construction. 1.2 Low-dimensional examples. ... as the above homology calculation shows. ... Toggle the table of contents.
BS 4994:1987 – Specification for design and construction of vessels and tanks in reinforced plastics. British Standards. 1987-06-30. ISBN 0-580-15075-5. "Pressure Vessel Design Case Study". ESR Technology. Archived from the original on 2007-05-12. — a case study of the design process of a cylindrical vessel, using the BS 4994 methodology
The respective tables of data were generally developed by using the more complex transfer function method to determine the various cooling loads for different types of heating. [ 2 ] [ 3 ] The results gained by doing so are then normalized for each type of heat gain used for the tables, CLTD, CLF, and SCL.
A Allocation of costs is the transfer of costs from one cost item to one or more other cost items. Allowance - a value in an estimate to cover the cost of known but not yet fully defined work. As-sold estimate - the estimate which matches the agreed items and price for the project scope. B Basis of estimate (BOE) - a document which describes the scope basis, pricing basis, methods ...
Revenues and gross profit are recognized each period based on the construction progress, in other words, the percentage of completion. Construction costs plus gross profit earned to date are accumulated in an asset account (construction in process, also called construction in progress), and progress billings are accumulated in a liability account (billing on construction in process).