7 resultados para The place of chemical fertilisers in Indian agriculture
em Cambridge University Engineering Department Publications Database
Resumo:
Our purpose is to not to define a particular philosophy of management, but rather to demonstrate some of the ways in which philosophy – ethics, metaphysics, epistemology, logic and æsthetics – contributes to the practice of management. We identify a number of contemporary management questions, procedures or issues where the application of philosophical approaches are relevant, and show how philosophical skills, an understanding of philosophical principles or exposure to philosophical discussion can contribute to improved management practice. In some ways the paper is a report on progress in the quest begun by Nigel Laurie and Christopher Cherry in the first issue of Philosophy of Management, formerly Reason in Practice (2001) when they asked why philosophers have interested themselves so little in the entire field of management. We include some examples where philosophers have written about management, some where managers have shown the direct impact of philosophy on management effectiveness and some where potential remains. In much we see links to process philosophy, and to the need for conversation and reflection by and between managers and philosophers. This does not of itself show how philosophy can contribute to management education. A brief final section discusses the way in which moral creativity skills can be developed through reflection, and describes how this has been done in the Manufacturing Leaders’ Programme at the Institute for Manufacturing at Cambridge and in the International Management Ethics & Values course taught to undergraduate management students in Adelaide, Singapore and Hong Kong. This will be taken up in a subsequent paper.
Resumo:
We present reaction free energy calculations using the adaptive buffered force mixing quantum mechanics/molecular mechanics (bf-QM/MM) method. The bf-QM/MM method combines nonadaptive electrostatic embedding QM/MM calculations with extended and reduced QM regions to calculate accurate forces on all atoms, which can be used in free energy calculation methods that require only the forces and not the energy. We calculate the free energy profiles of two reactions in aqueous solution: the nucleophilic substitution reaction of methyl chloride with a chloride anion and the deprotonation reaction of the tyrosine side chain. We validate the bf-QM/MM method against a full QM simulation, and show that it correctly reproduces both geometrical properties and free energy profiles of the QM model, while the electrostatic embedding QM/MM method using a static QM region comprising only the solute is unable to do so. The bf-QM/MM method is not explicitly dependent on the details of the QM and MM methods, so long as it is possible to compute QM forces in a small region and MM forces in the rest of the system, as in a conventional QM/MM calculation. It is simple, with only a few parameters needed to control the QM calculation sizes, and allows (but does not require) a varying and adapting QM region which is necessary for simulating solutions.