OpenMx software free download is a package for nano-scale material simulations based on density functional theories (DFT) in computational chemistry. the methods and algorithms used in OpenMX and their implementation are carefully designed for the realization of large-scale ab initio electronic structure calculations on parallel computers based on the MPI or MPI/OpenMP hybrid parallelism.
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MoluCAD software free download from new river kinematics is a molecular modeling and visualization tool designed for Windows in chemistry. The latest version incorporates many advanced features only found in expensive workstation-based modeling packages. Ease of use, premium graphical quality, and computational robustness are the trademarks of MoluCAD. Novice users are able to quickly generate models, view them form any perspective, create reaction animations, and save all data to disk.
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IRPal software free download is a powerful software to interpreting IR-spectra or infrared spectroscopy software that can help you analyze and interpret IR spectra of organic compounds. Working with this software is simple and easy, just enter the IR spectrum into the software and view the interpretation of the existing organic groups.
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Multiwfn software free download is a multifunctional realizing electronic wavefunction analyzer in computational chemistry. Multiwfn is free, open-source, high-efficient, very user-friendly and flexible, it supports almost all of the most important wavefunction analysis methods.
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BigDFT suite software free download is a fast, precise, and flexible DFT code for ab-initio atomistic simulation in computational Chemistry. BigDFT is an electronic parallel DFT (GPL license) structured electronic code using a wavelet-based array.
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Critic2 code free download is a software for analysis of quantum mechanical calculation results in molecules and periodic solids. In addition, critic2 software can read, analyze, and manipulate multiple scalar fields to calculate three-dimensional functions that are valued anywhere in space, such as electron density, spin density, and ELF. This software is generally designed for periodic electron density analysis.
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