BIOVIA Materials Studio

Solve key materials and chemical research problems with an integrated, multi-scale modeling environment that delivers a complete range of simulation methods.


Select Materials Studio References

Browse References by Module

CASTEP: CASTEP offers simulation capabilities not found elsewhere, such as accurate prediction of phonon spectra, dielectric constants, and optical properties. Simulate the properties of solids, interfaces, and surfaces for a wide range of materials classes, including ceramics, semiconductors, and metals, with this premier density functional theory (DFT) quantum mechanical code.

View the CASTEP References

DMol3: Combine computational speed with the accuracy of quantum mechanical methods to predict materials properties reliably and quickly.

View the DMol3References

GULP: Extend the range of materials and properties that can be studied with a wide range of materials force fields, from shell models for ionic systems to embedded atoms for metals to molecular mechanics force field support for covalent systems.

View the GULP References

NMR CASTEP: Accurately predict NMR chemical shift tensors, isotropic shifts, and electric field gradients for any material with tremendous reliability.

View the NMR CASTEP References

ONETEP: Accurately treat systems such as protein-ligand complexes, grain boundaries, and nanoclusters with this revolutionary quantum mechanics-based program designed specifically for calculations on large systems (>500 atoms).

View the ONETEP References

VAMP: Rapidly calculate physical and chemical molecular properties with this semi-empirical program for molecular organic and inorganic systemsView the VAMP References

Browse By:

Materials Studio Search Tool Tops 15,000 References

Want to see if your material has been studied using BIOVIA Materials Studio? Now you can search over 15,000 indexed references in the Materials Studio reference database. Type in any material or topic you are working on to see if others have studied it using Materials Studio.


How to Innovate faster: A materials science webinar series