MD simulations can help [to] gain molecular-level insights into the behavior of solutes in a specific biphasic system.
I'm not sure if it is "help gain" or "help to gain", or maybe "help gaining"; the second sounds more natural to me. I know we can say "help me find/gain/etc." but saying "help find/gain/etc." sounds odd to me. Could you please say what is the rule for these cases (with and without an object)
Top Answer/Comment:
Note the the use of gerund suggests a different connotation:
Help can be followed by either a gerund or a (to-)infinitive but with different meanings:
I can't help thinking that you are hiding something. (only in the negative: I have to think that you are hiding something.)
Could you help me (to) undo my shoelaces? My fingers are frozen. (Could you undo my shoelaces?)
Help can be followed by a bare infinitive or a to-infinitive.