Download Advance NanoLabo Pro 2.8 + Crack

• Drawing of organic molecules, Solvent molecular packing, Polymer models
• Surface models, Molecular adsorption on surfaces, Mismatched interface models
• Search crystal structure and molecular structure from an external database based on the entered chemical formula
• Easily model supercells, slab models, and more
• Compatible with Advance/PHASE
• Automatic generation of input files for calculations
• Visualize calculation results such as band structure, spectral display, molecular dynamics video and more
• Supports open source calculation engines (Quantum ESPRESSO, LAMMPS)
• Supercell, Impurity replacement, Lattice Defects, Space group determination
• Materials Project
• PubChem
• Cell Translation
• Supercell
• Impurity Substitution Model Defect Model Surface Model Solvent Molecular Filling Small
• Molecule Adsorption Model
• Surface Drawing
• Organic Molecules Automatic Determination
• Automatic Determination of Standard Cell Determination of Spatial Groups Interface Model
• Polymer Periodic Structure Measurement of Bond Length, Bond Angle, Dihedral Angle
• SCF Calculation
• Structure Optimization
• Band Structure Structure Density of States First Principles MD
• Classical MD
• TD-DFT or TDDFT (UV-VISIBLE SPECTRUM, DIELECTRIC CONSTANT) PHONON (BAND, DENSITY OF STATES, IR SPECTRUM)
• NEB METHOD
• XAFS/EELS Spectrum
• NeuralMD Teacher Data Creation and Training (Separate license agreement is required to use NeuralMD)
• NeuralMD Self-Learning Hybrid Automatic Force Field Generation
• CPMD
• GIPAW (NMR spectrum)
• Searching Database (Materials Project, PubChem)
• Translation of Cell
•  Building Super Cell
•  Building Slab Model
•  Finding Primitive/Standard Cell
•  Conversion between Hexagonal and Orthorhombic Cell
•  Element Substitution
•  Lattice Defect
•  Drawing a Molecule
•  Packing Molecules
•  Molecular Adsorption onto Slab

For Quantum ESPRESSO module

• SCF
• Geometry Optimization
• First Principle Molecular Dynamics
• Band Structure
• Density of States
• TD-DFT
• Phonon’s Band Structure
• Phonon’s DOS
• Vibrational Modes

• Geometry Optimization
• NVE, NVT, NPT Ensemble
• Multiple Calculation Scheme Setting
• Charge & Lennard-Jones Force Field
• OPLS-AA Force Field (automatically assigning atom types)
• ReaxFF Force Field
• EAM / MEAM Force Field