molecular modelling software
C42602
concept
Molecular modelling software is a computational tool that simulates and visualizes the structure, properties, and interactions of molecules to support tasks such as drug design, materials development, and molecular analysis.
Observed surface forms (11)
- computational physics software ×2
- electronic structure code ×2
- quantum chemistry software ×2
- ab initio simulation package ×1
- atomistic simulation package ×1
- computational chemistry software ×1
- materials modeling code ×1
- molecular dynamics software ×1
- molecular modeling software suite ×1
- molecular simulation software ×1
- solid-state physics software ×1
Instances (12)
- CSD-Discovery
- BIOVIA via concept surface "molecular modeling software suite"
- VASP via concept surface "computational physics software"
- Quantum ESPRESSO via concept surface "materials modeling code"
- Gaussian via concept surface "computational chemistry software"
- ABINIT via concept surface "electronic structure code"
- WIEN2k via concept surface "computational physics software"
- CP2K via concept surface "solid-state physics software"
- CASTEP via concept surface "electronic structure code"
- ORCA via concept surface "quantum chemistry software"
- NWChem via concept surface "molecular simulation software"
- SIESTA via concept surface "ab initio simulation package"