Claims:1. A computer implemented method comprising:
receiving a plurality of input parameters of a polymeric carrier, a solvent, and molecules to be released from the polymeric carrier from a database;
performing Molecular Dynamics (MD) simulations to estimate thermodynamic and transport properties of the polymeric carrier, the solvent and the molecules to be released using one or more input parameters from the plurality of input parameters;
estimating swelling and degradation kinetics of the polymeric carrier and release kinetics of the molecules to be released from the polymeric carrier based on the estimated thermodynamic and transport properties of the polymeric carrier and molecules to be released via multi-physics simulations;
comparing the estimated release kinetics with targeted release kinetics of the molecules to be released; and
generating a proposed formulation based on difference between estimated released kinetics and the targeted release kinetics of the molecules, wherein the proposed formulation comprises parameters associated with the polymeric carrier and the solvent corresponding to the molecules to be released.

2. The method of claim 1, the method further comprises
modifying the one or more input parameters from the plurality of input parameters of the polymer carrier and the solvent such that the targeted release rate of the molecules is achieved.

3. The method of claim 2, wherein modifying the one or more input parameters comprises altering at least one of:
carrier properties of the polymeric carrier and feeding the altered properties to the multi-physics simulations; and
formulation parameters of the polymeric carrier and feeding the altered formulation parameters to the MD simulations.

4. The method of claim 1, wherein the plurality of the input parameter comprises formulation parameters of the polymeric carrier, carrier properties of the polymeric carrier, chemical and physical properties of the molecules to be released and release environment.

5. The method of claim 1, wherein estimating the thermodynamic and transport properties comprises
obtaining molecular interaction parameters of the polymer carrier, the solvent and the molecules to be released from the database; and
estimating transport properties of the molecules to be released present in the polymeric carrier based on the molecular interaction parameters.

6. The method of claim 1, wherein the multi-physics simulations comprises
obtaining the estimated transport properties and thermodynamic properties of the polymer carrier, the solvent and the molecule to be released via the MD simulations;
assessing swelling kinetics of the polymeric carrier by combining Nernst-Planck equation, Poisson equation and Force Balance equation;
assessing degradation kinetics of polymeric carrier using reaction-diffusion equations; and
simulating the molecules to be released from the polymeric carrier.

8. The method of claim 1, wherein the polymeric carrier comprises polymer particles, polymer gels and polymer fibers.

9. The method of claim 1, wherein the molecules to be released comprises a bioactive agent, a therapeutic agent, fertilizer, cosmetics, fragrance and anti-perspirant.

10. The method of claim 1, wherein the solvent comprises at least one of organic and inorganic compounds.

11. A system comprising:
at least one memory; and
at least one processor, the at least one memory and the visualization interface coupled to the at least one processor, wherein the at least one processor is capable of executing programmed instructions stored in the at least one memory to:
receive a plurality of input parameters of polymeric carrier, a solvent, and molecules to be released from the polymeric carrier from a database;
perform Molecular Dynamics (MD) simulations to estimate thermodynamic and transport properties of the polymeric carrier, the solvent and the molecules to be released using one or more input parameters from the plurality of input parameters;
estimate swelling and degradation kinetics of the polymeric carrier and release kinetics of molecules to be released from the polymeric carrier based on the estimated thermodynamic and transport properties of the polymeric carrier and molecules to be released via multi-physics simulations;
compare the estimated release kinetics with targeted release kinetics of the molecules to be released; and
generate a proposed formulation based on difference between estimated released kinetics and the targeted release kinetics of the molecules, wherein the proposed formulation comprises parameters associated with the polymeric carrier and the solvent corresponding to the molecules to be released.

12. The system of claim 11, wherein the at least one processor is further capable of executing programmed instructions stored in the at least one memory to modify the one or more parameters of polymer carrier and solvent such that the plurality of the input parameters achieve the targeted release rate of the molecules.

13. The system of claim 11, wherein modifying the one or more parameters comprises altering at least one of:
carrier properties of the polymeric carrier and feeding the altered properties to the multi-physics simulations; and
formulation parameters of the polymeric carrier and feeding the altered formulation parameters to the MD simulations.

14. The system of claim 11, wherein the plurality of the input parameter comprises formulation parameters of the polymeric carrier, carrier properties of the polymeric carrier, chemical and physical properties of the molecules to be released and release environment.

15. The system of claim 11, wherein estimating the thermodynamic and transport properties comprises
obtaining molecular interaction parameters of the polymer carrier, the solvent and the molecules to be released from the database; and
estimating transport properties of the molecules to be released present in the polymeric carrier based on the molecular interaction parameters.

16. The system of claim 11, wherein multi-physics simulations comprises
obtaining the estimated transport properties and thermodynamic properties of the polymer carrier, the solvent and the molecule to be released via the MD simulations;
assessing swelling kinetics of the polymeric carrier by combining Nernst-Planck equation, Poisson equation and Force Balance equation;
assessing degradation kinetics of polymeric carrier using reaction-diffusion equations; and
simulating the molecules to be released from the polymeric carrier.
, Description:as attached