Can we creat a new kind of "boundary condition" to LBM for solve the mulpiple coupled fields problems

As we know, lattice boltzmann method is one method to solve the fluid problems. and the primary work to use this method is give the corrected "boundary conditon"__pressure conditions and velocity conditions.

To general problems, the PC and VC for 2D/3D problems has been obtained by some scientists(eg.D3Q19,D2q9 ...model).

But to the lowest scale problems, the "force" fields is complexed and the traditional PC/VC is not suit for this kind of problems.

My opinion:

 If we know the constitutive relation under this kind of conditions, can we obtained a new kind of PC/VC from the basic theory/knowledge of Quantum mechanics.

Until now, I did not see system reprots in this fields, I did not know if we can creat a new kind of "boundary conditon" .