Vincent Teo(a) They are busy doing / to do their woek.
(b) They are busy with their works.
Sorry I wasn't clear.
(b) is fine as "They are busy with their work." I just meant that in some unusual contexts you could use "works" but that in the vast number of cases you wouldn't.
As for (a) I can't really put my finger on what seems odd about it. Possibly because you would most often hear "They are busy" as opposed to "They are busy doing their work."