Control of crystal morphology in industrial crystallization processes is very important since this affects the ease of separation, washing, drying, packaging, handling and storage of crystals. In the case of pharmaceutical products, crystal morphology affects drug dissolution, bioavailability and tableting characteristics. Factors such as cooling rate, agitation speed, agitation time, degree of supersaturation, seeding and presence of impurities affect the crystal morphology. In addition to these, the type of solvent chosen for a crystallization process has a strong influence on morphology. Investigating the full impact of solvents on morphology of crystals will help us gain insights useful for solvent selection and solvent design strategies for crystallization processes. Our studies involve three aspects, namely: experiments, molecular dynamics and modeling. So far a comprehensive experimental study of crystal shape distribution of four carboxylic acids re-crystallized from six different solvents have been undertaken. Solvents were chosen to cover a wide range in polarity ranging from non-polar to highly polar. Crystals were characterized using Optical Microscopy and Scanning Electron Microscopy techniques. Powder X-Ray Diffraction patterns obtained from crystals was used to rule out polymorph formation. Experimental results reveal that low-viscous solvents with low hydrogen-bonding solubility parameter give higher aspect ratio (ratio between two major dimensions) crystals while polar solvents with comparatively higher hydrogen bonding ability yield lower aspect ratio crystals. However, for high-viscous polar solvents, high aspect ratio crystals were observed. The next phase of the research employs molecular dynamics to explain observed morphological trends. Since crystal-solvent interactions are mainly controlled by interfacial tension between the two phases, the goal here is to use molecular dynamics simulations to extract key interfacial thermodynamic quantities such as the surface free energy which play key role in determining crystal morphology. The final phase of the research is aimed at developing a semi-empirical model for predicting crystal shape of carboxylic acids grown from solution.