BIOVIA Materials Studio provides a comprehensive environment for materials science and chemistry research. It enables the prediction of relationships between a material’s atomic and molecular structure and its properties, helping researchers develop better-performing materials across various industries, including pharmaceuticals, catalysts, polymers, composites, metals, batteries, fuel cells, and nanomaterials.
Why Choose Material Studio Software?
Faster innovation and material development through computational chemistry
Detailed atomic-to-material property insights
Multi-scale chemistry simulation with 20+ solvers
Data science for chemistry, supporting cumbersome tests
Why Choose Material Studio Software?
Become productive faster and with less effort using Materials Visualizer, the easiest to use and most complete graphical user environment for materials modeling and simulation.
Materials Studio offers a variety of methods based on quantum mechanics like Density Functional Theory (DFT), Semi-Empirical Molecular Orbital Method, QM/MM Method (Quantum Mechanics/Molecular Mechanics).
Solvers Available: CANTERA, CASTEP, DMOL3, DFTB+, NMR CASTEP, ONETEP, QMERA, VAMP.
Materials Studio offers a very wide range of methods based on classical interactions between atoms and molecules. These include Molecular Dynamics, Lattice Dynamics, and various Monte Carlo based methods as well as the provision of forcefields.
Solvers Available: Adsorption Locator, Amorphous Cell, Blends, Conformers, COMPASS, Forcite Plus, GULP, Sorption.
Mesoscale methods in Materials Studio are based on a coarse-graining approach, whereby groups of atoms are replaced by beads. These methods enable the modeling of behavior at length and time scales which are beyond the range of classical tools.
Solvers Available: MesoDyn, Mesocite.
Materials Studio provides Statistical tools that are ideal to screen compounds quickly by relating molecular traits directly to experimentally observed quantities.
Solvers Available: QSAR, QSAR Plus, Synthia.
Employ Analytical and crystallization tools to investigate, predict, and modify crystal structure and crystal growth.
Solvers Available: Morphology, QSAR Plus, Polymorph Predictor, Motif, Reflex, Reflex QPA, X-Cell
FAQ
How do I obtain Materials Studio for my academic institution? are there any special packages for academics?
I want to implement Materials Studio in our R&D department, but we lack the expertise.
Is Materials Studio suitable for my specific research?
I love computational chemistry simulations, but I am concerned about expensive simulation.
Get In Touch With Us
Anything on your mind. We will be glad to assist you!
