LiveDesign®

Web-based enterprise informatics for accelerated materials design

LiveDesign is an enterprise informatics platform that enables teams to rapidly advance materials discovery projects by collaborating, designing, experimenting, analyzing, tracking, and reporting in a centralized platform. This collaborative ideation solution enables teams of computational, synthetic, analytical, and process scientists, and engineers to work through problems and share results on one platform. 

How real-time collaborative design, modeling, and project management accelerates materials design

 

 

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Data Visualization and Management

Intuitive, user-friendly tools to import compounds from files, run computational models and view 3D results. Search for experimental data, add custom formulas, and flag interesting compounds for follow-up.

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Launching and Tracking Scientific Models

Sophisticated, expert tools to set up and modify complex scientific simulations and enable everyone on the team to run the simulations on imported or sketched materials. Computational results automatically appear side-by-side with other data of the same material and are stored in the database.

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Analysis and Machine Learning

Customized and focused insights into data with comprehensive, easy-to-use data analysis tools, such as multi-parameter optimization (MPO), multi-dimensional plots, tile view and form view. Machine learning technology embedded on the platform speeds up material design cycles.

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Benefits of LiveDesign for Materials

BETTER MATERIALS DESIGN, FASTER

Capture, analyze, and test new ideas and data in a centralized platform to accelerate the timeline for materials design

ACCESS ALL INFORMATION

Customize sophisticated cheminformatics and powerful data analysis to increase the odds for success

INCREASE RATE OF SUCCESS

Use machine learning-based methods to drive predictions and assist novel design approaches

DRIVE PREDICTIONS & DESIGNS WITH MACHINE LEARNING

EMPOWERED COLLABORATION

Overcome the obstacles of time and location with team members working concurrently in a live, web-based, single-source platform

WORK SIDE BY SIDE, WHEREVER YOU ARE

Never miss an update: status, changes, and reports are live and automatic, with alerts to keep everyone informed and engaged during the entire life cycle

COMMUNICATE SEAMLESSLY

Capture user-designed new materials from everyone in the team and compute properties of the candidates as they are added to a LiveReport

LEARN AND MAKE DECISIONS TOGETHER

EXPERT MODELING FOR ALL

Understand complex properties for a wide range of materials through integrated atomistic materials simulation with inclusive Schrödinger software or any third party tool

ACCESS EXPERT PHYSICS-BASED SIMULATIONS

Share the results of advanced computational modeling, side by side with all other data in the same spreadsheet, or configure data and widgets in Tile View or Form View

SHARE MODEL RESULTS IN CUSTOMIZED VIEWS

Plug and play customized workflows, evaluate materials candidates with automated simulations to accelerate materials screening and discovery

EVALUATE MATERIAL CANDIDATES WITH AUTOMATED SIMULATIONS

Drive research in a multitude of industries

Customize LiveDesign for various materials applications and project areas. LiveDesign’s dedicated software engineering, solutions architect, product and UX teams have tremendous experience working closely with customers to build and deploy the exact workflows and user interfaces for customer needs.

LiveDesign can be extended to:

ORGANIC ELECTRONICS

Scale up atomistic-scale simulations and predictive analysis of key optoelectronic properties such as optical spectra, bond dissociation energy, charge-carrier mobility, and thermomechanical stability, enabling rapid design and screening of advanced organic electronic materials.

Catalysis and Reactivity

CATALYSIS AND REACTIVE SYSTEMS

Streamline and automate the analysis, discovery, and optimization of efficient and selective catalysts and reactive systems by providing critical insights through a range of physics-based chemical simulation and data analysis tools.

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HIGH TECHNOLOGY MATERIALS

Use properties from advanced quantum mechanics calculations and state-of-the-art solid state descriptors to train machine learning models to predict a wide range of properties, including band structure, mechanical, dielectric, magnetic, and thermodynamic properties

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SEMICONDUCTORS

Simulate the chemistry of nanofabrication - depositing or etching materials with atomic layer precision - by using specialized modelling tools for organometallic molecules, adsorption onto surfaces and the effect of process conditions. Design novel chemicals and save time in optimizing processes for semiconductor logic, memory, solar or sensing devices.

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POLYMERIC MATERIALS

Employ automated physics-based workflows and polymer specific machine learning to design new monomers and additives, screen formulations, and optimize manufacturing. Capture key performance and process properties such as glass transition, modulus, water uptake, barrier, and reactivity.

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ENERGY CAPTURE AND STORAGE

Incorporate and manage experimental and computational data for energy capture and storage materials to explore novel chemistry by predicting key atomistic-scale properties through physics-based simulation and data-driven predictive analysis.

Materials Analysis, Optimization and Discovery in One Enterprise Platform

IDEA GENERATION
Generate new virtual material candidates with a variety of computational tools. Query, analyze, and visualize existing data to understand structure-property relationships and drive design cycles.
SYNTHESIS TRACKING
Easily track material development status in a single source, with notifications provided when the development moves to the next phase.
EXPERIMENT TRACKING
Monitor experimental progress and review results in a single report alongside modeling predictions.
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EXPERT MODELING
Rapidly test new ideas with advanced physics-based modeling. Examine the results of modeling with easy integration of Maestro or any visualization and analysis tool via a rich API.
EVALUATE & PROGRESS MATERIALS
Compare experimental test results with model and machine learning predictions, in customizable Forms views to determine structure property relationship and refine predictions. Review ideas and project progression to guide future design cycles.

The Schrödinger Platform

LiveDesign is the linchpin of the Schrödinger Materials Design Platform integrating highly predictive physics-based methods, next-generation machine learning techniques, and centralized enterprise informatics to accelerate materials discovery and design.

Cutting through the vastness of chemical space

EXPLORE OUR PLATFORM

Work Wherever You Are

LiveDesign enables collaboration—essential for materials discovery—across offices, across sites, and across time zones. In an increasingly distributed workforce, scientists need to keep work moving when in-person communication isn't an option. By collaborating within a single platform, progress accelerates..

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LiveDesign for Materials Science

Get an overview of the various ways that LiveDesign for Materials Science accelerates materials design.

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Accelerate the materials design process with LiveDesign

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