Could you please help by providing me with inputs for LAMMPS systems in mixtures with ionic liquids. Why have I not yet managed to set up the force field and geometry optimization?
I would like to train the use of molecular dynamics technique
I would ask first how much experience you have with MD? If this is your first experience of it, I would highly recommend you start with a simpler system than that of an ionic liquid.
Also, when you say "ionic liquid", do you mean molecular (such as room temperature ionic liquids) or atomic, such as molten salts?
If it is the later, this might be an okay starting point. I have input files for both.
All the best, Jeff.
Hello Armstrong
I would first like to thank the contact.
My experience is small (1 month), but I'm managing to do Coarse-grained Emim BF4. I'm finding it difficult because the NPT pressure does not stabilize even with a rum one million steps.
If you have systems using model with all atomis thermo_style calculating properties (density viscosity conductivity) would help a lot.
once I have experience in LAMMPS together we can publish something that interests us.
what is your line of research?
thank you so much for your willingness
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