

The global Molecular Dynamics Software market size is predicted to grow from US$ 110 million in 2025 to US$ 141 million in 2031; it is expected to grow at a CAGR of 4.3% from 2025 to 2031.
Molecular dynamics (MD) is a computer simulation method for analysing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanics force fields. The method is applied mostly in chemical physics, materials science, and biophysics.
Global Molecular Dynamics Software key players include D.E. Shaw Research, YASARA Biosciences, MBN Research Center, Culgi BV, Intel, etc. Global top five players hold a share about 70 %. Aisa-Pacific is the largest market, with a share about 50%, followed by North America and Europe, having a total share about 45 percent. In terms of product, GPU-accelerated is the largest segment, with a share about 70%. And in terms of application, the largest application is Materials Science Research, followed by Chemical Physics Research and Biophysics Research.
The “Molecular Dynamics Software Industry Forecast” looks at past sales and reviews total world Molecular Dynamics Software sales in 2024, providing a comprehensive analysis by region and market sector of projected Molecular Dynamics Software sales for 2025 through 2031. With Molecular Dynamics Software sales broken down by region, market sector and sub-sector, this report provides a detailed analysis in US$ millions of the world Molecular Dynamics Software industry.
This Insight Report provides a comprehensive analysis of the global Molecular Dynamics Software landscape and highlights key trends related to product segmentation, company formation, revenue, and market share, latest development, and M&A activity. This report also analyses the strategies of leading global companies with a focus on Molecular Dynamics Software portfolios and capabilities, market entry strategies, market positions, and geographic footprints, to better understand these firms’ unique position in an accelerating global Molecular Dynamics Software market.
This Insight Report evaluates the key market trends, drivers, and affecting factors shaping the global outlook for Molecular Dynamics Software and breaks down the forecast by Type, by Application, geography, and market size to highlight emerging pockets of opportunity. With a transparent methodology based on hundreds of bottom-up qualitative and quantitative market inputs, this study forecast offers a highly nuanced view of the current state and future trajectory in the global Molecular Dynamics Software.
This report presents a comprehensive overview, market shares, and growth opportunities of Molecular Dynamics Software market by product type, application, key players and key regions and countries.
Segmentation by Type:
GPU-accelerated
Working Only On CPU
Segmentation by Application:
Chemical Physics Research
Materials Science Research
Biophysics Research
This report also splits the market by region:
Americas
United States
Canada
Mexico
Brazil
APAC
China
Japan
Korea
Southeast Asia
India
Australia
Europe
Germany
France
UK
Italy
Russia
Middle East & Africa
Egypt
South Africa
Israel
Turkey
GCC Countries
The below companies that are profiled have been selected based on inputs gathered from primary experts and analyzing the company's coverage, product portfolio, its market penetration.
Abalone
Software for Chemistry & Materials (SCM)
Ascalaph Designer
Avizo (Software)
CHARMM
CP2K
D.E. Shaw Research
GROMACS
GROMOS
LAMMPS
ö徱Բ
MBN Explorer
MDynaMix
Molecular Modelling Toolkit
Nanoscale Molecular Dynamics
OpenAtom
Dassault Systemes
OpenEye
SHARC Molecular Dynamics Software
Tinker-HP
Fraunhofer SCAI
VOTCA
Winmostar
YASARA
Siemens (Culgi)
Intel
Please Note - This is an on demand report and will be delivered in 2 business days (48 hours) post payment.
1 Scope of the Report
1.1 Market Introduction
1.2 Years Considered
1.3 Research Objectives
1.4 Market Research Methodology
1.5 Research Process and Data Source
1.6 Economic Indicators
1.7 Currency Considered
1.8 Market Estimation Caveats
2 Executive Summary
2.1 World Market Overview
2.1.1 Global Molecular Dynamics Software Market Size (2020-2031)
2.1.2 Molecular Dynamics Software Market Size CAGR by Region (2020 VS 2024 VS 2031)
2.1.3 World Current & Future Analysis for Molecular Dynamics Software by Country/Region (2020, 2024 & 2031)
2.2 Molecular Dynamics Software Segment by Type
2.2.1 GPU-accelerated
2.2.2 Working Only On CPU
2.3 Molecular Dynamics Software Market Size by Type
2.3.1 Molecular Dynamics Software Market Size CAGR by Type (2020 VS 2024 VS 2031)
2.3.2 Global Molecular Dynamics Software Market Size Market Share by Type (2020-2025)
2.4 Molecular Dynamics Software Segment by Application
2.4.1 Chemical Physics Research
2.4.2 Materials Science Research
2.4.3 Biophysics Research
2.5 Molecular Dynamics Software Market Size by Application
2.5.1 Molecular Dynamics Software Market Size CAGR by Application (2020 VS 2024 VS 2031)
2.5.2 Global Molecular Dynamics Software Market Size Market Share by Application (2020-2025)
3 Molecular Dynamics Software Market Size by Player
3.1 Molecular Dynamics Software Market Size Market Share by Player
3.1.1 Global Molecular Dynamics Software Revenue by Player (2020-2025)
3.1.2 Global Molecular Dynamics Software Revenue Market Share by Player (2020-2025)
3.2 Global Molecular Dynamics Software Key Players Head office and Products Offered
3.3 Market Concentration Rate Analysis
3.3.1 Competition Landscape Analysis
3.3.2 Concentration Ratio (CR3, CR5 and CR10) & (2023-2025)
3.4 New Products and Potential Entrants
3.5 Mergers & Acquisitions, Expansion
4 Molecular Dynamics Software by Region
4.1 Molecular Dynamics Software Market Size by Region (2020-2025)
4.2 Global Molecular Dynamics Software Annual Revenue by Country/Region (2020-2025)
4.3 Americas Molecular Dynamics Software Market Size Growth (2020-2025)
4.4 APAC Molecular Dynamics Software Market Size Growth (2020-2025)
4.5 Europe Molecular Dynamics Software Market Size Growth (2020-2025)
4.6 Middle East & Africa Molecular Dynamics Software Market Size Growth (2020-2025)
5 Americas
5.1 Americas Molecular Dynamics Software Market Size by Country (2020-2025)
5.2 Americas Molecular Dynamics Software Market Size by Type (2020-2025)
5.3 Americas Molecular Dynamics Software Market Size by Application (2020-2025)
5.4 United States
5.5 Canada
5.6 Mexico
5.7 Brazil
6 APAC
6.1 APAC Molecular Dynamics Software Market Size by Region (2020-2025)
6.2 APAC Molecular Dynamics Software Market Size by Type (2020-2025)
6.3 APAC Molecular Dynamics Software Market Size by Application (2020-2025)
6.4 China
6.5 Japan
6.6 South Korea
6.7 Southeast Asia
6.8 India
6.9 Australia
7 Europe
7.1 Europe Molecular Dynamics Software Market Size by Country (2020-2025)
7.2 Europe Molecular Dynamics Software Market Size by Type (2020-2025)
7.3 Europe Molecular Dynamics Software Market Size by Application (2020-2025)
7.4 Germany
7.5 France
7.6 UK
7.7 Italy
7.8 Russia
8 Middle East & Africa
8.1 Middle East & Africa Molecular Dynamics Software by Region (2020-2025)
8.2 Middle East & Africa Molecular Dynamics Software Market Size by Type (2020-2025)
8.3 Middle East & Africa Molecular Dynamics Software Market Size by Application (2020-2025)
8.4 Egypt
8.5 South Africa
8.6 Israel
8.7 Turkey
8.8 GCC Countries
9 Market Drivers, Challenges and Trends
9.1 Market Drivers & Growth Opportunities
9.2 Market Challenges & Risks
9.3 Industry Trends
10 Global Molecular Dynamics Software Market Forecast
10.1 Global Molecular Dynamics Software Forecast by Region (2026-2031)
10.1.1 Global Molecular Dynamics Software Forecast by Region (2026-2031)
10.1.2 Americas Molecular Dynamics Software Forecast
10.1.3 APAC Molecular Dynamics Software Forecast
10.1.4 Europe Molecular Dynamics Software Forecast
10.1.5 Middle East & Africa Molecular Dynamics Software Forecast
10.2 Americas Molecular Dynamics Software Forecast by Country (2026-2031)
10.2.1 United States Market Molecular Dynamics Software Forecast
10.2.2 Canada Market Molecular Dynamics Software Forecast
10.2.3 Mexico Market Molecular Dynamics Software Forecast
10.2.4 Brazil Market Molecular Dynamics Software Forecast
10.3 APAC Molecular Dynamics Software Forecast by Region (2026-2031)
10.3.1 China Molecular Dynamics Software Market Forecast
10.3.2 Japan Market Molecular Dynamics Software Forecast
10.3.3 Korea Market Molecular Dynamics Software Forecast
10.3.4 Southeast Asia Market Molecular Dynamics Software Forecast
10.3.5 India Market Molecular Dynamics Software Forecast
10.3.6 Australia Market Molecular Dynamics Software Forecast
10.4 Europe Molecular Dynamics Software Forecast by Country (2026-2031)
10.4.1 Germany Market Molecular Dynamics Software Forecast
10.4.2 France Market Molecular Dynamics Software Forecast
10.4.3 UK Market Molecular Dynamics Software Forecast
10.4.4 Italy Market Molecular Dynamics Software Forecast
10.4.5 Russia Market Molecular Dynamics Software Forecast
10.5 Middle East & Africa Molecular Dynamics Software Forecast by Region (2026-2031)
10.5.1 Egypt Market Molecular Dynamics Software Forecast
10.5.2 South Africa Market Molecular Dynamics Software Forecast
10.5.3 Israel Market Molecular Dynamics Software Forecast
10.5.4 Turkey Market Molecular Dynamics Software Forecast
10.6 Global Molecular Dynamics Software Forecast by Type (2026-2031)
10.7 Global Molecular Dynamics Software Forecast by Application (2026-2031)
10.7.1 GCC Countries Market Molecular Dynamics Software Forecast
11 Key Players Analysis
11.1 Abalone
11.1.1 Abalone Company Information
11.1.2 Abalone Molecular Dynamics Software Product Offered
11.1.3 Abalone Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.1.4 Abalone Main Business Overview
11.1.5 Abalone Latest Developments
11.2 Software for Chemistry & Materials (SCM)
11.2.1 Software for Chemistry & Materials (SCM) Company Information
11.2.2 Software for Chemistry & Materials (SCM) Molecular Dynamics Software Product Offered
11.2.3 Software for Chemistry & Materials (SCM) Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.2.4 Software for Chemistry & Materials (SCM) Main Business Overview
11.2.5 Software for Chemistry & Materials (SCM) Latest Developments
11.3 Ascalaph Designer
11.3.1 Ascalaph Designer Company Information
11.3.2 Ascalaph Designer Molecular Dynamics Software Product Offered
11.3.3 Ascalaph Designer Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.3.4 Ascalaph Designer Main Business Overview
11.3.5 Ascalaph Designer Latest Developments
11.4 Avizo (Software)
11.4.1 Avizo (Software) Company Information
11.4.2 Avizo (Software) Molecular Dynamics Software Product Offered
11.4.3 Avizo (Software) Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.4.4 Avizo (Software) Main Business Overview
11.4.5 Avizo (Software) Latest Developments
11.5 CHARMM
11.5.1 CHARMM Company Information
11.5.2 CHARMM Molecular Dynamics Software Product Offered
11.5.3 CHARMM Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.5.4 CHARMM Main Business Overview
11.5.5 CHARMM Latest Developments
11.6 CP2K
11.6.1 CP2K Company Information
11.6.2 CP2K Molecular Dynamics Software Product Offered
11.6.3 CP2K Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.6.4 CP2K Main Business Overview
11.6.5 CP2K Latest Developments
11.7 D.E. Shaw Research
11.7.1 D.E. Shaw Research Company Information
11.7.2 D.E. Shaw Research Molecular Dynamics Software Product Offered
11.7.3 D.E. Shaw Research Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.7.4 D.E. Shaw Research Main Business Overview
11.7.5 D.E. Shaw Research Latest Developments
11.8 GROMACS
11.8.1 GROMACS Company Information
11.8.2 GROMACS Molecular Dynamics Software Product Offered
11.8.3 GROMACS Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.8.4 GROMACS Main Business Overview
11.8.5 GROMACS Latest Developments
11.9 GROMOS
11.9.1 GROMOS Company Information
11.9.2 GROMOS Molecular Dynamics Software Product Offered
11.9.3 GROMOS Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.9.4 GROMOS Main Business Overview
11.9.5 GROMOS Latest Developments
11.10 LAMMPS
11.10.1 LAMMPS Company Information
11.10.2 LAMMPS Molecular Dynamics Software Product Offered
11.10.3 LAMMPS Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.10.4 LAMMPS Main Business Overview
11.10.5 LAMMPS Latest Developments
11.11 ö徱Բ
11.11.1 ö徱Բ Company Information
11.11.2 ö徱Բ Molecular Dynamics Software Product Offered
11.11.3 ö徱Բ Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.11.4 ö徱Բ Main Business Overview
11.11.5 ö徱Բ Latest Developments
11.12 MBN Explorer
11.12.1 MBN Explorer Company Information
11.12.2 MBN Explorer Molecular Dynamics Software Product Offered
11.12.3 MBN Explorer Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.12.4 MBN Explorer Main Business Overview
11.12.5 MBN Explorer Latest Developments
11.13 MDynaMix
11.13.1 MDynaMix Company Information
11.13.2 MDynaMix Molecular Dynamics Software Product Offered
11.13.3 MDynaMix Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.13.4 MDynaMix Main Business Overview
11.13.5 MDynaMix Latest Developments
11.14 Molecular Modelling Toolkit
11.14.1 Molecular Modelling Toolkit Company Information
11.14.2 Molecular Modelling Toolkit Molecular Dynamics Software Product Offered
11.14.3 Molecular Modelling Toolkit Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.14.4 Molecular Modelling Toolkit Main Business Overview
11.14.5 Molecular Modelling Toolkit Latest Developments
11.15 Nanoscale Molecular Dynamics
11.15.1 Nanoscale Molecular Dynamics Company Information
11.15.2 Nanoscale Molecular Dynamics Molecular Dynamics Software Product Offered
11.15.3 Nanoscale Molecular Dynamics Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.15.4 Nanoscale Molecular Dynamics Main Business Overview
11.15.5 Nanoscale Molecular Dynamics Latest Developments
11.16 OpenAtom
11.16.1 OpenAtom Company Information
11.16.2 OpenAtom Molecular Dynamics Software Product Offered
11.16.3 OpenAtom Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.16.4 OpenAtom Main Business Overview
11.16.5 OpenAtom Latest Developments
11.17 Dassault Systemes
11.17.1 Dassault Systemes Company Information
11.17.2 Dassault Systemes Molecular Dynamics Software Product Offered
11.17.3 Dassault Systemes Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.17.4 Dassault Systemes Main Business Overview
11.17.5 Dassault Systemes Latest Developments
11.18 OpenEye
11.18.1 OpenEye Company Information
11.18.2 OpenEye Molecular Dynamics Software Product Offered
11.18.3 OpenEye Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.18.4 OpenEye Main Business Overview
11.18.5 OpenEye Latest Developments
11.19 SHARC Molecular Dynamics Software
11.19.1 SHARC Molecular Dynamics Software Company Information
11.19.2 SHARC Molecular Dynamics Software Molecular Dynamics Software Product Offered
11.19.3 SHARC Molecular Dynamics Software Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.19.4 SHARC Molecular Dynamics Software Main Business Overview
11.19.5 SHARC Molecular Dynamics Software Latest Developments
11.20 Tinker-HP
11.20.1 Tinker-HP Company Information
11.20.2 Tinker-HP Molecular Dynamics Software Product Offered
11.20.3 Tinker-HP Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.20.4 Tinker-HP Main Business Overview
11.20.5 Tinker-HP Latest Developments
11.21 Fraunhofer SCAI
11.21.1 Fraunhofer SCAI Company Information
11.21.2 Fraunhofer SCAI Molecular Dynamics Software Product Offered
11.21.3 Fraunhofer SCAI Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.21.4 Fraunhofer SCAI Main Business Overview
11.21.5 Fraunhofer SCAI Latest Developments
11.22 VOTCA
11.22.1 VOTCA Company Information
11.22.2 VOTCA Molecular Dynamics Software Product Offered
11.22.3 VOTCA Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.22.4 VOTCA Main Business Overview
11.22.5 VOTCA Latest Developments
11.23 Winmostar
11.23.1 Winmostar Company Information
11.23.2 Winmostar Molecular Dynamics Software Product Offered
11.23.3 Winmostar Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.23.4 Winmostar Main Business Overview
11.23.5 Winmostar Latest Developments
11.24 YASARA
11.24.1 YASARA Company Information
11.24.2 YASARA Molecular Dynamics Software Product Offered
11.24.3 YASARA Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.24.4 YASARA Main Business Overview
11.24.5 YASARA Latest Developments
11.25 Siemens (Culgi)
11.25.1 Siemens (Culgi) Company Information
11.25.2 Siemens (Culgi) Molecular Dynamics Software Product Offered
11.25.3 Siemens (Culgi) Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.25.4 Siemens (Culgi) Main Business Overview
11.25.5 Siemens (Culgi) Latest Developments
11.26 Intel
11.26.1 Intel Company Information
11.26.2 Intel Molecular Dynamics Software Product Offered
11.26.3 Intel Molecular Dynamics Software Revenue, Gross Margin and Market Share (2020-2025)
11.26.4 Intel Main Business Overview
11.26.5 Intel Latest Developments
12 Research Findings and Conclusion
*If Applicable.