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An alternative to free-energy perturbation for computing potentials of mean force in chemical space is thermodynamic integration. Another alternative, which is probably more efficient, is the Bennett acceptance ratio method. Adaptations to FEP exist which attempt to apportion free-energy changes to subsections of the chemical structure. [5]
Fluorinated ethylene propylene was invented by DuPont and is sold under the brandname Teflon FEP. Other brandnames are Neoflon FEP from Daikin or Dyneon FEP from Dyneon/3M. FEP is very similar in composition to the fluoropolymers PTFE (polytetrafluoroethylene) and PFA (perfluoroalkoxy polymer resin). FEP and PFA both share PTFE's useful ...
An example of integrated electric propulsion in the Type 45 destroyer (GT: gas turbine; DG: diesel generator) Integrated electric propulsion (IEP), full electric propulsion (FEP) or integrated full electric propulsion (IFEP) is an arrangement of marine propulsion systems such that gas turbines or diesel generators or both generate three-phase [1] electricity which is then used to power ...
Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods Free open source, Educational Community License version 2.0 NWChem: Protein Local Optimization Program: No Yes Yes Yes ...
The free energy principle is a mathematical principle of information physics: much like the principle of maximum entropy or the principle of least action, it is true on mathematical grounds. To attempt to falsify the free energy principle is a category mistake, akin to trying to falsify calculus by making empirical observations. (One cannot ...
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.
This method, also called Free energy perturbation (or FEP), involves sampling from state A only. It requires that all the high probability configurations of super state B are contained in high probability configurations of super state A, which is a much more stringent requirement than the overlap condition stated above.
The free-piston linear generator (FPLG) uses chemical energy from fuel to drive magnets through a stator and converts this linear motion into electric energy. Because of its versatility, low weight and high efficiency, it can be used in a wide range of applications, although it is of special interest to the mobility industry as range extenders for electric vehicles.