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<!DOCTYPE html>
<html>
<head>
<meta charset="utf-8" />
<link href="https://fonts.googleapis.com/css?family=Roboto:400,700&display=swap" rel="stylesheet" />
<style>
body {
background-image: url('./logos/UPB_bg.png');
/*MH: Replace with the path to your image */
background-size: 500px 500px;
/*MH: Scales the image to cover the entire background */
background-position: center;
/*MH: Centers the image */
background-repeat: repeat;
/*MH: Prevents/allow the image from repeating */
/*background: #4c9fa7; /*MH: background color of entire page(see the color behind the text, table etc)*/
margin: 0;
padding: 0;
}
/*MH: This puts the logo in the top-right INSIDE the card area ------starts*/
/* #main-header {
position: relative;
} */
/* Layout for header */
#main-header {
display: flex;
align-items: center;
justify-content: space-between; /* left–center–right */
padding: 10px 20px; /* spacing inside header */
position: relative;
}
.in-card-logo {
position: absolute;
top: 0px;
right: 10px;
height: 70px; /*MH: scale or adjust as you like */
width: auto;
z-index: 10;
box-shadow: none;
}
#title-heading {
text-align: center; /* Or left, if you prefer */
margin-top: 80px; /* Leaves space so the logo doesn't overlap title */
/* You can adjust margin-top if you make the logo bigger/smaller */
}
/*MH: This puts the logo in the top-right INSIDE the card area ------ends*/
/*-------------------------------------------------------------starts*/
/*MH: this part will hide column mention in the parentheses ()*/
col:nth-child(10),
col:nth-child(11) {
display: none;
}
th:nth-child(10),
th:nth-child(11),
td:nth-child(10),
td:nth-child(11) {
display: none;
}
/* col:nth-child(10) {
display: none;
}
th:nth-child(10),
td:nth-child(10) {
display: none;
}
col:nth-child(11) {
display: none;
}
th:nth-child(11),
td:nth-child(11) {
display: none;
} */
/*-------------------------------------------------------------ends*/
/* Card for main text content */
.card {
font-family: 'Roboto', Arial, sans-serif;
background: #ffffff;
/*MH: text background color*/
color: #222020;
/*MH: text color*/
max-width: 900px;
margin: 40px auto 0 auto;
padding: 30px 30px 50px 30px;
border-radius: 16px;
box-shadow: 0 2px 20px 0 rgba(60, 80, 180, 0.07), 0 1.5px 5px 0 rgba(60, 80, 180, 0.08);
}
h1,
h2,
h3 {
color: #5d5f12;
/*MH: title text color*/
font-weight: 700;
/*MH: title text width */
margin-top: 2em;
margin-bottom: 0.5em;
letter-spacing: -0.5px;
}
h1 {
font-size: 2.2em;
border-bottom: 2px solid #757c12;
/*MH: underline color of title*/
padding-bottom: .1em;
}
h2 {
font-size: 1.6em;
color: #6b7880;
}
h3 {
font-size: 1.15em;
color: #265772;
}
ul,
ol {
margin-left: 2em;
}
a {
color: #1c6ddd;
/*MH: link text color*/
text-decoration: none;
border-bottom: none; /*1px dotted #ffffff;*/
/*MH: color of link underline*/
transition: border 0.1s;
}
a:hover {
color: #230397;
/*MH: color when the mouse is over the link*/
border-bottom: 2px solid #ec1bb8;
/*MH: color underline of link for mouse hover*/
}
img {
max-width: 100%;
height: auto;
border-radius: 8px;
margin: 8px 0;
/* box-shadow: 0 1px 4px 0 rgba(74, 73, 153, 0.08); */ /*MH: this create a box shadow*/
box-shadow: none;
}
/*MH: Properties of the table ------------------------------starts*/
/* Wide, full-view table with scroll if needed */
.fullwidth-table-outer {
width: 100vw;
/* Full viewport width */
box-sizing: border-box;
/* Includes padding/borders in width */
overflow-x: auto;
/* Horizontal scrollbar for wide table */
height: 80vh;
/* Fixed height to 80% of viewport height */
/* margin: 2em 0; */
margin: 2em auto;
/* Top/bottom margins */
background: none;
display: block;
position: relative;
left: 50%;
transform: translateX(-50%);
/* Center the container */
padding: 0;
}
.fullwidth-table-outer table {
margin: 0 auto;
/* Center table */
min-width: 1200px;
/* Wider table to ensure horizontal scroll */
max-width: 98vw;
/* Limit width to viewport */
border-collapse: separate;
border-spacing: 0;
background: #dff7f8;
/*MH: color of even row of table*/
border-radius: 12px;
box-shadow: 0 1px 6px 0 rgba(40, 60, 120, 0.04);
text-align: left;
font-size: 1.05em;
}
/*MH: this subsection will make the header of table sticky*/
.fullwidth-table-outer thead th,
.fullwidth-table-outer tr:first-child {
position: sticky;
/* Keep header fixed */
top: 0;
/* Stick to top of container */
background: #f1eeee;
/* Light gray background for clarity */
z-index: 1000;
/* Stay above rows */
/* will-change: transform; */
/* hint to browsers */
/* backface-visibility: hidden; */
/* reduce FF flicker */
}
.fullwidth-table-outer th,
.fullwidth-table-outer td {
padding: 14px 14px;
border-bottom: 1px solid #4b759c;
/*MH: color of horizontal line of table*/
border-right: 1px solid #4b759c;
/*MH: color of vertical line of table*/
}
.fullwidth-table-outer th {
background: linear-gradient(90deg, #e366e7 0%, #adadad 100%);
/*MH: color of heading of table (two colors for gradient)*/
color: #142f47;
/*text color of table heading*/
border-bottom: 2px solid #185b9eb7;
/*bottom line of heading of table*/
font-weight: 700;
text-align: left;
}
.fullwidth-table-outer tbody tr:nth-child(even) {
background-color: #ffffee;
/*MH: color of zebra table odd row*/
}
.fullwidth-table-outer tbody tr {
transition: background 0.2s, box-shadow 0.2s, transform 0.2s, border-left 0.2s;
}
.fullwidth-table-outer tbody tr:hover {
background: #ade6df;
/*MH: darker for even rows on hover*/
box-shadow: 0 4px 12px rgba(40, 60, 120, 0.15);
/*MH: Floating effect on hover*/
/* animation: floatUpDown 1.5s ease-in-out infinite; /*MH: Animation for up and down float */
transform: translateY(-2px);
/*MH: Lift row for floating effect*/
border-left: 4px solid #f2aef7;
/*MH: Enhanced highlight*/
}
.fullwidth-table-outer tbody tr:nth-child(even):hover {
background: #dfdfc6;
/*MH: darker color for odd rows on hover*/
box-shadow: 0 4px 12px rgba(40, 60, 120, 0.15);
/*MH: Floating effect on hover*/
/* animation: floatUpDown 1.5s ease-in-out infinite; /*MH: Animation for up and down float */
transform: translateY(-2px);
/*MH: Lift row for floating effect*/
border-left: 4px solid #f2aef7;
/*MH: Enhanced highlight*/
}
/*MH: Properties of the table ------------------------------ends*/
/* p { */
p:not(table p) {
text-align: justify; /*MH: This make the text even from both left and right side*/
}
/*MH: This part takes care of the expandable/collapsable part----------------starts*/
.expander {
margin-bottom: 8px; /* Adds space between each expander section */
}
.expander button {
background-color: #f5e39b; /*MH: button color of expandable/collapsable*/
color: #333; /*MH: Text color */
border: none; /*MH: Remove border */
border-radius: 6px; /*MH: Rounded corners */
padding: 10px 20px; /*MH: Space inside button */
font-weight: 600;
font-size: 1em;
cursor: pointer;
transition: background 0.2s, box-shadow 0.2s, transform 0.2s;
margin-bottom: 0;
box-shadow: 0 2px 8px 0 rgba(15, 34, 117, 0.16); /*MH: Shadow added to the button */
}
.expander button:hover {
background-color: #b6a354; /*MH: color on hover */
box-shadow: 0 4px 16px 0 rgba(20, 50, 139, 0.2); /*MH: Deeper shadow on hover */
transform: translateY(-2px); /*MH: Makes the button float upwards */
transition: background 0.2s, box-shadow 0.2s, transform 0.2s;
}
.expander-content {
border: 2px solid #d4b020; /*MH: color of the border */
background: #e1f5f3; /*MH: color of background */
border-radius: 40px 41px 38px 43px / 46px 49px 45px 41px; /*MH: make rounded boarder*/
/* border-radius: 8px; */
padding: 16px 20px;
margin-top: 14px;
position: relative; /* Needed for the arrow */
box-shadow: 0 2px 8px rgba(15,34,117,0.08);
}
.expander-content::before {
content: "";
position: absolute;
top: -16px;
left: 30px; /*MH: arrow at the box*/
/* transform: translateX(-50%); */
width: 0;
height: 0;
border-left: 13px solid transparent;
border-right: 13px solid transparent;
border-bottom: 16px solid #e6c130; /*MH: Arrow color matches border */
}
.expander-content::after {
content: "";
position: absolute;
top: -13px;
left: 30px; /*MH: arrow at the box*/
/* transform: translateX(-50%); */
width: 0;
height: 0;
border-left: 10px solid transparent;
border-right: 10px solid transparent;
border-bottom: 13px solid #e1f5f3; /*MH: Arrow color matches box background */
}
/*MH: This part takes care of the expandable/collapsable part----------------ends*/
/*MH: This part will split in the page and make it double column------------starts*/
.content-layout {
display: flex;
align-items: flex-start;
gap: 40px; /*MH: space between text and image */
}
.content-left {
flex: 1;
min-width: 0;
}
.content-right img {
max-width: 300px;
width: 100%;
border-radius: 8px;
}
@media (max-width: 900px) {
.content-layout {
flex-direction: column;
}
.content-right img {
margin-top: 20px;
max-width: 100%;
}
}
/*MH: This part will split in the page and make it double column------------ends*/
</style>
<title>
Materials-Science-Databases.html
</title>
</head>
<body>
<header style="font-size:2.0em;
font-weight:600;
letter-spacing:1px;
color:#f10ea2;
margin-bottom:1.0em;
text-align:center;
padding-top:40px;"> <!--MH: adjust position of the header text-->
PC<sup>2</sup> presents <!--MH: Put header title here and color is defined just few lines above-->
</header>
<div class="card">
<div id="page">
<div id="main">
<div id="main-header">
<!-- <div id="breadcrumb-section">
<ul id="breadcrumbs">
<li>
<span>
<a href="index.html">
PC2 presents MH
</a>
</span>
</li>
</ul>
</div> -->
<!--Left logo-->
<!-- <img src="./logos/pc2_logo_2.png" alt="NHR Logo" class="in-card-logo left-logo"> -->
<!--Title/Heading-->
<h1 id="title-heading">
<span id="title-text">
Materials Science Databases
</span>
</h1>
<!--Right logo-->
<img src="./logos/pc2_logo_2.png" alt="PC2 Logo" class="in-card-logo">
</div>
<div id="content">
<div id="main-content">
<p>
<strong>
Introduction:
</strong>
</p>
<p>
In the fields of physics, chemistry, materials science, and atomistic simulations, a
wealth of databases and repositories have been developed to facilitate research and
discovery. These resources provide experimental and computational data, support
high-throughput screening, and enable the integration of machine learning (ML) and also
help with big data projects and using artificial intelligence (AI) to predict new
materials. Below is a comprehensive list of some of the most prominent databases that
researchers and scientists in these areas can explore.
</p>
<p>
<br />
</p>
<p>
<strong>
Motivation:
</strong>
</p>
<p>
Materials science databases are essential because they centralize vast amounts of
curated experimental and computational data, enabling researchers to accelerate
materials discovery without costly, time-consuming experiments or simulations. By
providing standardized, accessible datasets, these repositories support high-throughput
screening (HTS), ML model training, and AI-driven predictions, fostering breakthroughs
in applications like renewable energy, electronics, and nanotechnology. They also
promote collaboration and reproducibility, ensuring researchers can build on shared
knowledge to address global challenges efficiently.
</p>
<p>
<br />
</p>
<p>
<strong>
Purpose:
</strong>
</p>
<p>
This table compiles prominent open-access, free to use and community-driven databases to
guide researchers in selecting resources that align with their needs, whether for
crystallographic analysis, computational materials design, or data-driven discovery. It
provides a concise overview of each database’s scope, data types, accessibility, and
tools, enabling users to compare options and leverage these repositories for innovative
research. Designed for physicists, chemists, materials scientists, and data scientists,
this resource aims to enhance productivity and advance materials science through
data-sharing and collaboration.
</p>
<p>
<br />
</p>
<!--------------------------------------------------------->
<div class="content-layout">
<div class="content-left">
<p>
<strong>
Key Term Definitions:
</strong>
</p>
<div class="expander">
<div role="heading">
<button aria-expanded="false" type="button" onclick="toggleThisExpander(this)">
Database
</button>
</div>
<div class="expander-content" role="region" style="display: none;">
<p>
A database is an organized collection of data, typically stored and accessed electronically,
designed for efficient storage, retrieval, updating, and management. It uses a structured
format and is managed by a database management system (DBMS).
<a href="https://en.wikipedia.org/wiki/Database" rel="nofollow">
Database-Wikipedia
</a>
</p>
</div>
</div>
<div class="expander">
<div role="heading">
<button aria-expanded="false" type="button" onclick="toggleThisExpander(this)">
High-throughput
</button>
</div>
<div class="expander-content" role="region" style="display: none;">
<p>
High-throughput refers to the automated process of screening and analyzing
a large number of samples or materials or data points efficiently and
systematically. In various scientific contexts, such as in genomics,
pharmaceuticals, and materials science, high-throughput techniques allow
researchers to conduct experiments and collect data on a massive scale,
accelerating the discovery and analysis processes. High-throughput
screening (HTS), for example, is a method used in drug discovery to
quickly assess the biological or biochemical activity of a large number
of compounds.
<a href="https://en.wikipedia.org/wiki/High-throughput_screening" rel="nofollow">
High-Throughput Screening - Wikipedia
</a>
</p>
</div>
</div>
<div class="expander">
<div role="heading">
<button aria-expanded="false" type="button" onclick="toggleThisExpander(this)">
FAIR Principles
</button>
</div>
<div class="expander-content" role="region" style="display: none;">
<p>
FAIR principles are basically a set of guidelines designed to ensure data is
Findable, Accessible, Interoperable, and Reusable (FAIR), promoting
efficient
data sharing and reproducibility in scientific research, particularly in
materials science and other data-driven fields.
<a href="https://www.go-fair.org/fair-principles/" rel="nofollow">
FAIR Principles - GO FAIR
</a>
</p>
</div>
</div>
<div class="expander">
<div role="heading">
<button aria-expanded="false" type="button" onclick="toggleThisExpander(this)">
Data Provenance
</button>
</div>
<div class="expander-content" role="region" style="display: none;">
<p>
Data provenance, often referred to as data lineage, is the documentation of
the origin, movement, and transformation of data throughout its
lifecycle—from
creation or capture to storage, analysis, and ultimately, final use or
sharing.
It provides a record of where data comes from, how it is processed, and what
happens to it over time. This information is crucial for ensuring data
integrity, reproducibility, and trustworthiness.
<a href="https://en.wikipedia.org/wiki/Data_lineage#Data_provenance" rel="nofollow">
Data Provenance - Wikipedia
</a>
</p>
</div>
</div>
<div class="expander">
<div role="heading">
<button aria-expanded="false" type="button" onclick="toggleThisExpander(this)">
Big Data
</button>
</div>
<div class="expander-content" role="region" style="display: none;">
<p>
Big Data refers to extremely large and complex datasets that cannot be
effectively processed or analyzed using traditional data processing tools
and methods. It is characterized by the "3 Vs" (Volume, Velocity, Variety)
and often extended to include Veracity and Value.
<a href="https://en.wikipedia.org/wiki/Big_data" rel="nofollow">
Wikipedia - Big Data
</a>
</p>
</div>
</div>
<div class="expander">
<div role="heading">
<button aria-expanded="false" type="button" onclick="toggleThisExpander(this)">
Meta Data
</button>
</div>
<div class="expander-content" role="region" style="display: none;">
<p>
Metadata is data that provides information about other data, describing
its characteristics, structure, or context to facilitate its management,
discovery, and use. Often referred to as "data about data," metadata
includes details such as the data’s source, format, size, creation date,
author, location, or permissions.
<a href="https://en.wikipedia.org/wiki/Metadata" rel="nofollow">
Wikipedia - Metadata
</a>
</p>
</div>
</div>
</div>
<div class="content-right">
<!--<img src="./logos/DataBase_cartoon.jpg" alt="Database cartoon"> --MH:-->
<img src="./logos/DataBasesDiagramMine.png" alt="Database cartoon"> <!--MH:-->
<div style="font-size: 0.9em; color: #8ea9b9; margin-top: 4px;">
Figure: Database
</div>
</div>
</div>
<p>
<br />
</p>
<p>
<br />
</p>
<div class="fullwidth-table-outer">
<table>
<colgroup>
<col />
<col />
<col />
<col />
<col />
<col />
<col />
<col />
<col />
<col />
<col />
<col />
</colgroup>
<tbody>
<tr>
<th data-highlight-colour="#ff8f73" scope="col">
Name
</th>
<th data-highlight-colour="#ff8f73" scope="col">
Field/Area
</th>
<th data-highlight-colour="#ff8f73" scope="col">
Material Types
</th>
<th data-highlight-colour="#ff8f73" scope="col">
Methods
</th>
<th data-highlight-colour="#ff8f73" scope="col">
Properties
</th>
<th data-highlight-colour="#ff8f73" scope="col">
<!-- Tools & Interfaces -->
Tools and Interfaces
<!-- <P>Tools & Interfaces</P> -->
</th>
<th data-highlight-colour="#ff8f73" scope="col">
Tutorials/Resources
</th>
<th data-highlight-colour="#ff8f73" scope="col">
Responsible group
</th>
<th data-highlight-colour="#ff8f73" scope="col">
Institute/Affiliation
</th>
<th data-highlight-colour="#ff8f73" scope="col">
Total Entries
</th>
<th data-highlight-colour="#ff8f73" scope="col">
Active
</th>
<th data-highlight-colour="#ff8f73" scope="col">
Description
</th>
</tr>
<tr>
<td data-highlight-colour="#abf5d1">
<div>
<p>
<strong title="">
<a href="https://materialsproject.org/" rel="nofollow">
Materials Project
</a>
</strong>
</p>
<p>
<br />
</p>
<p>
<a href="https://next-gen.materialsproject.org/" rel="nofollow">
<span>
<img src="./logos/112820500.png" alt="Materials Project logo" width="110" />
</span>
</a>
</p>
</div>
</td>
<td data-highlight-colour="#abf5d1">
<div>
<p>
<span title="">
Computational Materials Science and Materials Design
</span>
</p>
</div>
</td>
<td data-highlight-colour="#abf5d1">
<p>
Organic and Inorganic Molecules, Crystalline Solids, Metal-Organic
Frameworks (MOFs), Porous Materials, Hypothetical Compounds,
Intercalation Compounds, Polymorphs and Phase Variants
</p>
</td>
<td data-highlight-colour="#abf5d1">
DFT, TDDFT, GW, BSE, Phonon, DFPT, MD, ML
</td>
<td data-highlight-colour="#abf5d1">
<p>
Electronic, Thermodynamic, Mechanical, Vibrational, Magnetic,
Structural, Surface and Interface, Defect, Battery-Related,
Chemical, Transport, Optical, Spectroscopic, Other Properties
</p>
</td>
<td data-highlight-colour="#abf5d1">
<a href="https://next-gen.materialsproject.org/about/open-source-software"
rel="nofollow" title="">
Web-based interface, API (OPTIMADE-compliant), Pymatgen, Custodian,
FireWorks, Atomate, Jobflow,
</a>
<a href="https://next-gen.materialsproject.org/ml/charge_densities"
rel="nofollow" title="">
Charge Densities datset
</a>
</td>
<td data-highlight-colour="#abf5d1">
<p>
<a href="https://docs.materialsproject.org/downloading-data/how-do-i-download-the-materials-project-database"
rel="nofollow">
Tutorial-Article
</a>
</p>
<p>
<a href="https://www.youtube.com/watch?v=e4hSkv1Ghbk" rel="nofollow">
Tutorial-YouTube
</a>
</p>
<p>
<a href="https://docs.materialsproject.org/uploading-data/what-is-mpcontribs"
rel="nofollow">
Contribute-data
</a>
</p>
<p>
<a href="https://www.youtube.com/@MaterialsProject/videos" rel="nofollow">
YouTube-Channel
</a>
</p>
</td>
<td data-highlight-colour="#abf5d1">
Materials Project Team, led by Prof.
<a href="https://perssongroup.lbl.gov/" rel="nofollow" title="">
Kristin Persson
</a>
</td>
<td data-highlight-colour="#abf5d1">
<a href="https://www.lbl.gov/" rel="nofollow" title="">
Lawrence Berkeley National Laboratory (LBNL),
</a>
<a href="https://www.berkeley.edu/" rel="nofollow" title="">
University of California, Berkeley
</a>
</td>
<td data-highlight-colour="#abf5d1">
<strong title="">
178627
</strong>
+
</td>
<td data-highlight-colour="#abf5d1">
Yes
</td>
<td data-highlight-colour="#abf5d1">
An open-access, comprehensive resource for materials design and
discovery, offering high-throughput computed property data to accelerate
innovation and applications.
</td>
</tr>
<tr>
<td data-highlight-colour="#fff0b3">
<div>
<p>
<strong title="">
<a href="https://nomad-lab.eu/" rel="nofollow">
NOMAD CoE
</a>
</strong>
</p>
<p>
<br />
</p>
<p>
<strong title="">
<a href="https://www.nomad-coe.eu/nomad-coe/" rel="nofollow">
<span>
<img src="./logos/108168494.png" alt="NOMAD CoE logo" width="92" />
</span>
</a>
</strong>
</p>
</div>
</td>
<td data-highlight-colour="#fff0b3">
<span title="">
Computational Materials Science, Big Data Analytics
<br />
</span>
</td>
<td data-highlight-colour="#fff0b3">
<p>
Organic and Inorganic Molecules, Crystalline Solids, Metal-Organic
Frameworks (MOFs), Porous Materials, Hypothetical Compounds,
Intercalation Compounds, Polymorphs and Phase Variants, Amorphous
Materials, Nanostructures
</p>
</td>
<td data-highlight-colour="#fff0b3">
DFT, TDDFT, GW, BSE, Phonon, DFPT, MD, Monte Carlo, TB, DMFT, EELS,
Reaction Pathway, ML
</td>
<td data-highlight-colour="#fff0b3">
<p>
Electronic, Thermodynamic, Mechanical, Vibrational, Magnetic,
Structural, Surface and Interface, Defect, Battery-Related,
Chemical, Transport, Optical, Topological, Spectroscopic, Other
Properties
</p>
</td>
<td data-highlight-colour="#fff0b3">
<a href="https://nomad-lab.eu/prod/rae/gui/search#iss=https%3A%2F%2Fnomad-lab.eu%2Ffairdi%2Fkeycloak%2Fauth%2Frealms%2Ffairdi_nomad_prod"
rel="nofollow" title="">
NOMAD Repository Interface,
</a>
<a href="https://nomad-lab.eu/nomad-lab/encyclopedia.html" rel="nofollow"
title="">
NOMAD Encyclopedia,
</a>
<a href="https://nomad-lab.eu/nomad-lab/ai-toolkit.html" rel="nofollow"
title="">
NOMAD AI Toolkit,
</a>
<a href="https://nomad-lab.eu/prod/v1/optimade/v1/extensions/docs"
rel="nofollow" title="">
NOMAD API and OPTIMADE API,
</a>
<a href="https://nomad-lab.eu/nomad-lab/nomad-oasis.html" rel="nofollow"
title="">
NOMAD Oasis
</a>
</td>
<td data-highlight-colour="#fff0b3">
<p>
<a href="https://nomad-lab.eu/prod/v1/docs/howto/programmatic/download.html"
rel="nofollow">
Data-Documentation
</a>
</p>
<p>
<a href="https://www.youtube.com/watch?v=38S2U-TIvxE" rel="nofollow">
Video-Tutorial
</a>
</p>
<p>
<a href="https://nomad-lab.eu/prod/v1/docs/examples/computational_data/uploading.html"
rel="nofollow">
Upload-Data-quick-start
</a>
</p>
<p>
<a href="https://nomad-lab.eu/prod/rae/docs/upload.html" rel="nofollow">
Upload-Data-article
</a>
</p>
<p>
<a href="https://www.youtube.com/watch?v=3rVvfYoUbO0&t=3s"
rel="nofollow">
Upload-Publish
</a>
</p>
<p>
<a href="https://www.youtube.com/@TheNOMADLaboratory/videos" rel="nofollow">
YouTube-Channel
</a>
</p>
</td>
<td data-highlight-colour="#fff0b3">
NOMAD Laboratory Team, led by Prof.
<a href="https://sol.physik.hu-berlin.de/index.php?page=claudia-draxl"
rel="nofollow" title="">
Claudia Draxl
</a>
</td>
<td data-highlight-colour="#fff0b3">
<a href="https://www.hu-berlin.de/de" rel="nofollow" title="">
Humboldt-Universität zu Berlin,
</a>
<a href="https://www.fhi.mpg.de/" rel="nofollow" title="">
Fritz Haber Institute of the Max Planck Society
</a>
</td>
<td data-highlight-colour="#fff0b3">
<strong title="">
19115258
</strong>
+
</td>
<td data-highlight-colour="#fff0b3">
Yes
</td>
<td data-highlight-colour="#fff0b3">
A repository and a platform providing access to, and sharing of,
computational materials science data, and offering tools for data
transformation and reuse.
</td>
</tr>
<tr>
<td data-highlight-colour="#abf5d1">
<div>
<p>
<strong title="">
<a href="https://www.fairmat-nfdi.eu/fairmat/" rel="nofollow">
FAIRmat
</a>
</strong>
</p>
<p>
<br />
</p>
<p>
<a href="https://www.fairmat-nfdi.eu/fairmat/" rel="nofollow">
<span>
<img src="./logos/108168496.png" alt="FAIRmat logo" width="55" />
</span>
</a>
</p>
</div>
</td>
<td data-highlight-colour="#abf5d1">
Computational & Experimental Materials Science, Data Infrastructure,
FAIR Data Management and Principles
</td>
<td data-highlight-colour="#abf5d1">
Organic and Inorganic Molecules, Crystalline Solids, Metal-Organic
Frameworks (MOFs), Porous Materials, Hypothetical Compounds,
Intercalation Compounds, Polymorphs and Phase Variants, Amorphous
Materials, Nanostructures, Biomaterials
</td>
<td data-highlight-colour="#abf5d1">
DFT, TDDFT, GW, BSE, Phonon, DFPT, MD, Monte Carlo, TB, DMFT, EELS,
Reaction Pathway, ML, High-Throughput Screening
</td>
<td data-highlight-colour="#abf5d1">
<p>
Electronic, Thermodynamic, Mechanical, Vibrational, Magnetic,
Structural, Surface and Interface, Defect, Battery-Related,
Chemical, Transport, Optical, Topological, Spectroscopic,
Biophysical, Other Properties
</p>
</td>
<td data-highlight-colour="#abf5d1">
<a href="https://www.fairmat-nfdi.eu/fairmat/outreach-fairmat/tutorials-fairmat"
rel="nofollow" title="">
AI toolkit by FAIRmat,
</a>
<a href="https://github.com/FAIRmat-NFDI" rel="nofollow" title="">
FAIRmat Metadata and Parser Plugins
</a>
</td>
<td data-highlight-colour="#abf5d1">
<p>
<a href="https://www.fairmat-nfdi.eu/fairmat/outreach-fairmat/tutorials-fairmat"
rel="nofollow">
Tutorial-Page
</a>
</p>
<p>
<a href="https://www.youtube.com/watch?v=tygk2IrZfLU" rel="nofollow">
Explore-FAIRmat
</a>
</p>
<p>
<a href="https://fairmat-nfdi.eu/nomad-lab/nomad-documentation/tutorials"
rel="nofollow">
FAIRmat-NOMAD-tutorial
</a>
</p>
<p>
<a href="https://www.youtube.com/watch?v=3rVvfYoUbO0&t=3s"
rel="nofollow">
Upload-Publish
</a>
</p>
<p>
<a href="https://www.youtube.com/@TheNOMADLaboratory/videos" rel="nofollow">
YouTube-Channel
</a>
</p>
<p>
NOTE:
<a href="https://www.fairmat-nfdi.eu/fairmat/projects-fairmat/story-fairmat"
rel="nofollow">
NOMAD and FAIRmat are related
</a>
</p>
</td>
<td data-highlight-colour="#abf5d1">
FAIRmat Consortium, led by Prof.
<a href="https://sol.physik.hu-berlin.de/index.php?page=claudia-draxl"
rel="nofollow" title="">
Claudia Draxl
</a>
</td>
<td data-highlight-colour="#abf5d1">
<a href="https://www.hu-berlin.de/de" rel="nofollow" title="">
Humboldt-Universität zu Berlin,
</a>
part of DFG initiative, part of the NFDI