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Materials Simulation Group

Materials Simulation Group at UNCC (Qiang Zhu)
README.md

This is the Materials Simulation Group at the University of North Carolina at Charlotte. We develop and apply a variety of computational methods, including: atomistic simulation, density functional theory and structure prediction to investigate the materials’ structure-property relation.

Popular repositories Loading

  1. PyXtal PyXtalPublic

    A code to generate atomic structure with symmetry

    Python 385 82

  2. ComputationalPhysics300 ComputationalPhysics300Public

    computational physics class taught at UNLV (Phys300)

    Jupyter Notebook 137 122

  3. PyXtal_FF PyXtal_FFPublic

    Machine Learning Interatomic Potential Predictions

    Python 93 23

  4. vasprun vasprunPublic

    quick analysis of vasp calculation

    Python 38 16

  5. CMS CMSPublic

    Some ongoing projects in Zhu's group

    HTML 27 8

  6. LEGO-xtal LEGO-xtalPublic

    LEGO-Cryst: Local Environment Geometry-Oriented Crystal Generator

    Python 13 5

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, 'i'); if (__m === '*' || __re.test(location.href)) { // Add copy buttons to all 
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Materials Simulation Group · GitHub
Skip to content
@MaterSim

Materials Simulation Group

Materials Simulation Group at UNCC (Qiang Zhu)
README.md
This is the Materials Simulation Group at the University of North Carolina at Charlotte.
We develop and apply a variety of computational methods, including: atomistic simulation,
density functional theory and structure prediction to investigate the materials’ structure-property relation.

Popular repositories
Loading
  1. 
PyXtal
PyXtalPublic
    
A code to generate atomic structure with symmetry

    Python
385

82

  2. 
ComputationalPhysics300
ComputationalPhysics300Public
    
computational physics class taught at UNLV (Phys300)

    Jupyter Notebook
137

122

  3. 
PyXtal_FF
PyXtal_FFPublic
    
Machine Learning Interatomic Potential Predictions

    Python
93

23

  4. 
vasprun
vasprunPublic
    
quick analysis of vasp calculation

    Python
38

16

  5. 
CMS
CMSPublic
    
Some ongoing projects in Zhu's group

    HTML
27

8

  6. 
LEGO-xtal
LEGO-xtalPublic
    
LEGO-Cryst: Local Environment Geometry-Oriented Crystal Generator

    Python
13

5


Repositories

Showing 10 of 23 repositories
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, 'i');
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Materials Simulation Group · GitHub
Skip to content
@MaterSim

Materials Simulation Group

Materials Simulation Group at UNCC (Qiang Zhu)
README.md
This is the Materials Simulation Group at the University of North Carolina at Charlotte.
We develop and apply a variety of computational methods, including: atomistic simulation,
density functional theory and structure prediction to investigate the materials’ structure-property relation.

Popular repositories
Loading
  1. 
PyXtal
PyXtalPublic
    
A code to generate atomic structure with symmetry

    Python
385

82

  2. 
ComputationalPhysics300
ComputationalPhysics300Public
    
computational physics class taught at UNLV (Phys300)

    Jupyter Notebook
137

122

  3. 
PyXtal_FF
PyXtal_FFPublic
    
Machine Learning Interatomic Potential Predictions

    Python
93

23

  4. 
vasprun
vasprunPublic
    
quick analysis of vasp calculation

    Python
38

16

  5. 
CMS
CMSPublic
    
Some ongoing projects in Zhu's group

    HTML
27

8

  6. 
LEGO-xtal
LEGO-xtalPublic
    
LEGO-Cryst: Local Environment Geometry-Oriented Crystal Generator

    Python
13

5


Repositories

Showing 10 of 23 repositories
View all repositories
People

This organization has no public members. You must be a member to see who’s a part of this organization.

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, 'i');
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(function(){
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var __m = "*";
var __re = new RegExp('^' + ".*" + '
Materials Simulation Group · GitHub
Skip to content
@MaterSim

Materials Simulation Group

Materials Simulation Group at UNCC (Qiang Zhu)
README.md
This is the Materials Simulation Group at the University of North Carolina at Charlotte.
We develop and apply a variety of computational methods, including: atomistic simulation,
density functional theory and structure prediction to investigate the materials’ structure-property relation.

Popular repositories
Loading
  1. 
PyXtal
PyXtalPublic
    
A code to generate atomic structure with symmetry

    Python
385

82

  2. 
ComputationalPhysics300
ComputationalPhysics300Public
    
computational physics class taught at UNLV (Phys300)

    Jupyter Notebook
137

122

  3. 
PyXtal_FF
PyXtal_FFPublic
    
Machine Learning Interatomic Potential Predictions

    Python
93

23

  4. 
vasprun
vasprunPublic
    
quick analysis of vasp calculation

    Python
38

16

  5. 
CMS
CMSPublic
    
Some ongoing projects in Zhu's group

    HTML
27

8

  6. 
LEGO-xtal
LEGO-xtalPublic
    
LEGO-Cryst: Local Environment Geometry-Oriented Crystal Generator

    Python
13

5


Repositories

Showing 10 of 23 repositories
View all repositories
People

This organization has no public members. You must be a member to see who’s a part of this organization.

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, 'i');
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})();
(function(){
try {
var __m = "youtube.com";
var __re = new RegExp('^' + "youtube\\.com" + '
Materials Simulation Group · GitHub
Skip to content
@MaterSim

Materials Simulation Group

Materials Simulation Group at UNCC (Qiang Zhu)
README.md
This is the Materials Simulation Group at the University of North Carolina at Charlotte.
We develop and apply a variety of computational methods, including: atomistic simulation,
density functional theory and structure prediction to investigate the materials’ structure-property relation.

Popular repositories
Loading
  1. 
PyXtal
PyXtalPublic
    
A code to generate atomic structure with symmetry

    Python
385

82

  2. 
ComputationalPhysics300
ComputationalPhysics300Public
    
computational physics class taught at UNLV (Phys300)

    Jupyter Notebook
137

122

  3. 
PyXtal_FF
PyXtal_FFPublic
    
Machine Learning Interatomic Potential Predictions

    Python
93

23

  4. 
vasprun
vasprunPublic
    
quick analysis of vasp calculation

    Python
38

16

  5. 
CMS
CMSPublic
    
Some ongoing projects in Zhu's group

    HTML
27

8

  6. 
LEGO-xtal
LEGO-xtalPublic
    
LEGO-Cryst: Local Environment Geometry-Oriented Crystal Generator

    Python
13

5


Repositories

Showing 10 of 23 repositories
View all repositories
People

This organization has no public members. You must be a member to see who’s a part of this organization.

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Loading…

, 'i');
if (__m === '*' || __re.test(location.href)) {
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(function(){
try {
var __m = "*";
var __re = new RegExp('^' + ".*" + '
Materials Simulation Group · GitHub
Skip to content
@MaterSim

Materials Simulation Group

Materials Simulation Group at UNCC (Qiang Zhu)
README.md
This is the Materials Simulation Group at the University of North Carolina at Charlotte.
We develop and apply a variety of computational methods, including: atomistic simulation,
density functional theory and structure prediction to investigate the materials’ structure-property relation.

Popular repositories
Loading
  1. 
PyXtal
PyXtalPublic
    
A code to generate atomic structure with symmetry

    Python
385

82

  2. 
ComputationalPhysics300
ComputationalPhysics300Public
    
computational physics class taught at UNLV (Phys300)

    Jupyter Notebook
137

122

  3. 
PyXtal_FF
PyXtal_FFPublic
    
Machine Learning Interatomic Potential Predictions

    Python
93

23

  4. 
vasprun
vasprunPublic
    
quick analysis of vasp calculation

    Python
38

16

  5. 
CMS
CMSPublic
    
Some ongoing projects in Zhu's group

    HTML
27

8

  6. 
LEGO-xtal
LEGO-xtalPublic
    
LEGO-Cryst: Local Environment Geometry-Oriented Crystal Generator

    Python
13

5


Repositories

Showing 10 of 23 repositories
View all repositories
People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages
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Loading…

, 'i');
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var observer = new MutationObserver(unstick);
observer.observe(document.body, { childList: true, subtree: true, attributes: true, attributeFilter: ['style', 'class'] });
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} catch(__e) { console.warn('[Userscript:Kill Sticky Headers]', __e); }
})();
(function(){
try {
var __m = "*";
var __re = new RegExp('^' + ".*" + '
Materials Simulation Group · GitHub
Skip to content
@MaterSim

Materials Simulation Group

Materials Simulation Group at UNCC (Qiang Zhu)
README.md
This is the Materials Simulation Group at the University of North Carolina at Charlotte.
We develop and apply a variety of computational methods, including: atomistic simulation,
density functional theory and structure prediction to investigate the materials’ structure-property relation.

Popular repositories
Loading
  1. 
PyXtal
PyXtalPublic
    
A code to generate atomic structure with symmetry

    Python
385

82

  2. 
ComputationalPhysics300
ComputationalPhysics300Public
    
computational physics class taught at UNLV (Phys300)

    Jupyter Notebook
137

122

  3. 
PyXtal_FF
PyXtal_FFPublic
    
Machine Learning Interatomic Potential Predictions

    Python
93

23

  4. 
vasprun
vasprunPublic
    
quick analysis of vasp calculation

    Python
38

16

  5. 
CMS
CMSPublic
    
Some ongoing projects in Zhu's group

    HTML
27

8

  6. 
LEGO-xtal
LEGO-xtalPublic
    
LEGO-Cryst: Local Environment Geometry-Oriented Crystal Generator

    Python
13

5


Repositories

Showing 10 of 23 repositories
View all repositories
People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages
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, 'i');
if (__m === '*' || __re.test(location.href)) {
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Materials Simulation Group · GitHub
Skip to content
@MaterSim

Materials Simulation Group

Materials Simulation Group at UNCC (Qiang Zhu)
README.md
This is the Materials Simulation Group at the University of North Carolina at Charlotte.
We develop and apply a variety of computational methods, including: atomistic simulation,
density functional theory and structure prediction to investigate the materials’ structure-property relation.

Popular repositories
Loading
  1. 
PyXtal
PyXtalPublic
    
A code to generate atomic structure with symmetry

    Python
385

82

  2. 
ComputationalPhysics300
ComputationalPhysics300Public
    
computational physics class taught at UNLV (Phys300)

    Jupyter Notebook
137

122

  3. 
PyXtal_FF
PyXtal_FFPublic
    
Machine Learning Interatomic Potential Predictions

    Python
93

23

  4. 
vasprun
vasprunPublic
    
quick analysis of vasp calculation

    Python
38

16

  5. 
CMS
CMSPublic
    
Some ongoing projects in Zhu's group

    HTML
27

8

  6. 
LEGO-xtal
LEGO-xtalPublic
    
LEGO-Cryst: Local Environment Geometry-Oriented Crystal Generator

    Python
13

5


Repositories

Showing 10 of 23 repositories
View all repositories
People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages
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Loading…