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1. AMSTERDAM DENSITY FUNCTIONAL ADF PROGRAMMING LANGUAGE SOFTWARE
2. AMSTERDAM DENSITY FUNCTIONAL ADF PROGRAMMING LANGUAGE PC

Rationally design catalysts with the activation strain Find shallow minima with fine integration and delocalizedĬoordinates. Tools like energy decomposition, NBO, ETS-NOCV, NCI,ĪIM, bond orders, Hirshfeld give unique insight.įind TSs with NEB or Transition State Reaction Coordinate SOC-TDDFT: phosphorescence lifetimes for OLEDsĪccurate spectra of dyes, energy flows in dye-sensitizedįrom EPR to XANES, we offer a very broad range of spectroscopy.ĪDF is particularly recommended by users for its excellentĬapabilities for NMR and optical spectra.ģD-RISM: solvation calculation with averaged solvent structureĭRF, SCRF: polarizable environments for MD and QM/MMĭIM/QM: coupled TDDFT + atomistic electrodynamics forĪDF is used by those who truly want to understand chemicalīonding.

AMSTERDAM DENSITY FUNCTIONAL ADF PROGRAMMING LANGUAGE PC

UV/VIS spectrum, calculated within 20 minutes on a desktop PC With decades of experience, our expert support team (PhDs inĬhemistry & physics) will help you with any queries that may arise.Ĭalculate charge mobility in organic electronics: With parallel binaries for all popular platforms, the entire ADF Unique insight in chemical bonds with many chemical analysis High-quality all-electron Slater basis sets for all elements.Īccurate relativistic treatment. Working with hardware vendors, we optimize our codes for desktopĬomputers and parallel supercomputers.

AMSTERDAM DENSITY FUNCTIONAL ADF PROGRAMMING LANGUAGE SOFTWARE

19Įxcellent software suite for tackling the most challenging problems With decades of experience, our expert support team (PhDs in chemistry & physics) will help you with any queries that may arise.ĪDF modeling suite: DFT to MD software for chemistry and materials Try out our powerful modeling tools for free: With parallel binaries for all popular platforms, the entire ADF suite installs out of the box. Balanced charge decomposition schemes and density analysis tools. Unique insight in chemical bonds with many chemical analysis tools.

Unique organic electronics tools: charge transport, phosphorescence. Many spectroscopic properties, from NMR to X-ray. High-quality all-electron Slater basis sets for all elements. Heavy elements, spectroscopy, organic electronics Working with hardware vendors, we optimize our codes for desktop computers and parallel supercomputers. Excellent software suite for tackling the most challenging problems in materials science and chemistry.