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2. List of software for nanostructures modeling - Wikipedia

   en.wikipedia.org/wiki/List_of_software_for...

   NEMO 3-D [10] – enables multi-million atom electronic structure simulations in empirical tight binding; open source; an educational version is on nanoHUB and Quantum Dot Lab [11] nextnano [12] allows simulating geometry, electronic properties and electrical transport phenomena in various nanostructures using continuum models (commercial software)

3. Quantum ESPRESSO - Wikipedia

   en.wikipedia.org/wiki/Quantum_ESPRESSO

   Quantum ESPRESSO (Quantum Open-Source Package for Research in Electronic Structure, Simulation, and Optimization; QE) [2] [3] is a suite for first-principles electronic-structure calculations and materials modeling, distributed for free and as free software under the GNU General Public License.

4. Atomistix Virtual NanoLab - Wikipedia

   en.wikipedia.org/wiki/Atomistix_Virtual_NanoLab

   Atomistix Virtual NanoLab (VNL) is a commercial point-and-click software for simulation and analysis of physical and chemical properties of nanoscale devices. Virtual NanoLab is developed and sold commercially by QuantumWise A/S. [1] QuantumWise was then acquired by Synopsys in 2017. [2]

5. List of computer simulation software - Wikipedia

   en.wikipedia.org/wiki/List_of_computer...

   JMAG - simulation software for electric device design and development. Khimera - a chemical kinetics simulation software tool developed by Kintech Lab. Lanner WITNESS - a discrete event simulation platform for modelling processes and experimentation. Lanner L-SIM Server - Java-based simulation engine for simulating BPMN2.0 based process models.

6. Comparison of software for molecular mechanics modeling

   en.wikipedia.org/wiki/Comparison_of_software_for...

   Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods Free open source, Educational Community License version 2.0 NWChem: Protein Local Optimization Program: No Yes Yes Yes ...

7. Open Babel - Wikipedia

   en.wikipedia.org/wiki/Open_Babel

   Open Babel is a free chemical informatics software designed to facilitate the conversion of Chemical file formats and manage molecular data. [3] It serves as a chemical expert system, widely used in fields such as cheminformatics, molecular modelling, and computational chemistry. Open Babel provides both a comprehensive library and command-line ...