Computer-assisted simulations

Brown, C.M., Ackemiann, D.K., Puricli, D.L. and Finlayson, B., 1991. Nucleation of calcium oxalate monoliydrate use of turbidity measurements and computer-assisted simulations in characterising early events in crystal formation. Journal of Crystal Growth, 108, 455 64. 

Tapia, O., Paulino, M. and Stamato, F. M. L. G. Computer assisted simulations and molecular graphics methods in molecular design. 1.Theory and applications to enzyme active-site directed drug design,... 

Recent decades have seen the emergence of a novel approach to scientific research, based on the exploitation of fast electronic digital computers. Computation provides a method of investigation which transcends the traditional division between theory and experiment. Computer-assisted simulation and design may afford a solution to complex problems which would otherwise be intractable to theoretical analysis, and may also provide a viable alternative to difficult or costly laboratory experiments. Though stemming from Theoretical Chemistry, Computational Chemistry is a field of research... 

A2 per Z group at generation 8. These experimental data are supported by computer-assisted simulations and surface areas derived from these calculations. 

I hope that my thesis can be used as a contribution in the future for analysis and validation in biotechnology, and also for the rapid determination of competitive adsorption isotherm parameters so that computer-assisted simulations may be used more extensively, in scaling-up and optimization of large scale chromatography. 

Computational chemistry A branch of chemistry that can be defined as computer-assisted simulation of molecular systems and that is used to investigate the chemical behavior and properties of these systems by means of formalisms based on quantum mechanics, classical mechanics, and other mathematical techniques. Because of the ever increasing speed of computers computational chemistry has become and will continue to be a viable alternative to chemical experimentation in cases where experiment is either unfeasible, too dangerous, or too costly. 

Computer-assisted simulation for the construction and planning of robot systems is becoming more and more popular. The simulation allows, without risk, examination and testing on the model of new experimental robot concepts, alternative installation layouts or modified process times within a robot system. Simulation is the imitation of a system with all its dynamic processes in an experimental model which is used to establish new insights and to ascertain whether these insights can be transferred to real situations (VDI Guideline 3633). 

---