PLEASEE HELP dimthyl ether, MD.

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SUMMARY

The discussion centers on the oxidation of dimethyl ether (DME) and the desire to create a molecular dynamics (MD) simulation. The participant, who has a background in mechanical engineering but limited chemistry knowledge, seeks guidance on foundational resources for quantum chemistry and MD simulations. A recommended resource is the book "Computational Chemistry" by Errol Lewars, which provides essential theoretical insights and practical applications for the participant's project.

PREREQUISITES
  • Basic understanding of molecular dynamics simulations
  • Foundational knowledge in quantum chemistry
  • Familiarity with oxidation reactions, specifically involving dimethyl ether
  • Access to computational chemistry resources and literature
NEXT STEPS
  • Read "Computational Chemistry" by Errol Lewars for foundational knowledge
  • Explore molecular dynamics simulation tools such as GROMACS or LAMMPS
  • Study quantum chemistry principles relevant to oxidation reactions
  • Research online courses or tutorials on molecular dynamics and computational chemistry
USEFUL FOR

This discussion is beneficial for students and researchers in mechanical engineering, chemistry, and computational science who are interested in molecular dynamics simulations and the oxidation processes of dimethyl ether.

blade86
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PLEASEE HELP! dimthyl ether, MD.

i have a one year program and i have to research on the oxidation of dimethyl ether(DME). my professor has given me the option to work with him on the theoretical nature of the reaction, or to build up a molecular dynamic simulation from scratch. I really want to build the MD simulation. The only problem is that i have no idea where to start from..what sort of books i should be reading? where do i get the basic introductory knowledge for basic quantum chemistry etc. I am living in Japan and all my professors work and books are in Japanese.. so if someone could help me out a bit i would reallly really appreciate it a lot.
I don't have much background in chemistry, and have studied mechanical engineering
 
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hey! wow that is a good book and just what i need! thanks a lot..appreciate it
 

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