Any Science Gateway s Dream Why is it so hard? Any Science Gateway s Dream There are worlds between

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What? 494 nano-apps in the cloud > 5,000 lectures and tutorials > 100 courses => MOOC Cyberinfrastructure 24/7 operation with 99.4% uptime NSF Research Infrastructure since 2002 ~ERC SI2-S2I2 However: We gladly would accept an additional grant Sustainability Who? > 1.4 million users annually > 1,800 contributors 172 countries Faculty Students Industry practitioners Fundamental changes in approach or underlying assumptions => Existence Proofs Any Science Gateway s Dream Why is it so hard? ge Research y ng An eeri gin n E..the..... wo r ld > 1,980 papers cite nanohub > 30,900 secondary citations h-index of 82 Educational Impact >35,100 students use tools in classrooms, >1780 classes, 185 institutions Rapid curriculum change <6 months adoption rate Any Science Gateway s Dream There are worlds between Sc Any ien ce an Ch Research Impact: nanohub tools now listed in Research

nanohub is the world s first end-to-end Science & Engineering Cloud Computing Gateway nanohub has bridged the valley of death Research => applied users Success Criteria 1. Understanding Stakeholders 2. Outstanding Science 3. Incentives for and commitment by contributors 4. Technology - HUB 5. Technology Transfer Processes 6. Open assessment / analytics 7. Business model The next valley of death : Sustainability 3.Incentives for and commitment by contributors nanohub recognized as Tool Publisher automatic web-services Web of Science and Google Scholar pull nanohub tool publications and list them as proper publications New incentives for academics New publication paradigm Culture change Researcher Usual Science Gateway Process Web Developer 175 tools / 4 years: => $88M $500k/tool NO new research! Not validated by researcher (disowned) Researcher has much better version Code rewrite takes 2-3 years Many Proposals read alike Researcher Usual Science Gateway Process Web Developer 175 tools / 4 years: => $88M $500k/tool Customers / Users NO new research! Scale back expectations Not research codes Toy applications Not deep research Maybe for education? Generating a Bad Reputation

nanohub Process 175 tools / 4 years without $88M Innovative Capability Examples NEMO Abinit GAMESS LAMMPS Quantum Espresso PWsf Qwalk SeqQuest Eliminate bottlenecks No Middleman No Rewrite Retain ownership Rapid Deployment: 2-3 years 1-2 weeks Innovative Usability & Accessibility => Impact Rappture toolkit Researcher Supplier Sub-Contractor Web Developer Consultant HUBzero Ecosystem nanohub is different Innovative Capability Examples Innovative Capability Examples NEMO Abinit GAMESS LAMMPS Quantum Espresso PWsf Qwalk SeqQuest Innovative Usability & Accessibility => Impact NEMO Abinit GAMESS LAMMPS Quantum Espresso PWsf Qwalk SeqQuest Innovative Usability & Accessibility => Impact

Innovative Capability Examples NEMO Abinit GAMESS LAMMPS Quantum Espresso PWsf Qwalk SeqQuest Innovative Usability & Accessibility => Impact 40 Lightning Talks NOT ONE mentioned usability Innovative Capability Examples NEMO Abinit GAMESS LAMMPS Quantum Espresso PWsf Qwalk SeqQuest Innovative Usability & Accessibility => Impact 24 years development Texas Instruments NASA JPL Purdue Peta-scale Engineering Gordon Bell Science, Nature Nano Si SiGe nanohub Si Cu 24 years development Texas Instruments NASA JPL Purdue Peta-scale Engineering Gordon Bell Science, Nature Nano

24 years development Texas Instruments NASA JPL Purdue Peta-scale Engineering Gordon Bell (2011) Science, Nature Nano Atomistic Device representation Deemed by many too computationally intensive Atomistic Device representation Deemed by many too computationally intensive 24 years development Texas Instruments NASA JPL Purdue Peta-scale Engineering Gordon Bell Science, Nature Nano Industry/Government: Industrial Partners: >500 researchers: source code on nanohub

nanohub Process 175 tools / 4 years without $88M Eliminate bottlenecks No Middleman No Rewrite Retain ownership Rapid Deployment: 2-3 years 1-2 weeks Rappture toolkit Product Innovation Products Suppliers v1 v2v3 Continual Engagement 380+ Developers NOT PAID by NCN Researcher Sub-Contractor Web Developer Consultant HUBzero Ecosystem nanohub is different nanohub can prove it Developer Collaboration Network Each dot is a Developer suppliers Links are tools product 30000 Developer Collaboration Impact Supplier Network Users Served 20000 10000 0 Red Dots: Median Data 0 10 20 30 40 50 60 70 Collaborators

Developer Collaboration Impact Developer Collaboration Impact Users Served 10000 1000 100 Red Dots: Median Data Users Served 10000 1000 100 Red Dots: Median Data Green Dots: Each Developer 10 1 10 Collaborators 10 1 10 Collaborators Small Collaborations: Scattered Success Large Collaborations Predictable Success Old Approach Surviving Universities Users Served 10000 1000 100 Red Dots: Median Data Green Dots: Each Developer Users Served 10000 1000 100 P&T Criteria Red Dots: Median Data Green Dots: Each Developer 10 1 10 Collaborators 10 1 10 Collaborators

Usage Patterns Literature Citations Usage Patterns => Tool Qualification => Tool Qualification => Tool Qualification Rapid Adoption of Research Median adoption time: 174 days (5.7 months) Typical textbook update: 3.8 years Dual Use Education and Research are coupled! 235 tools! Time Between Tool Publications and First Use in Classroom

Existence Proofs End-product users What? > 490 nano-apps in the cloud > 4,000 lectures and tutorials > 100 courses => MOOC easy to use, no installation, compute nanohub content developers / contributors Cyberinfrastructure 24/7 operation with 99.4% uptime Educational Impact >35,100 students use tools in classrooms, >1780 classes, 185 institutions Rapid curriculum change Research Impact: <9 months adoption rate nanohub tools now listed in self-serve deployment retain ownership and incentives (cites,use) Fundamental changes in approach or underlying assumptions > 1,980 papers cite nanohub > 30,900 secondary citations h-index of 82 Who? > 1,400,000 users annually > 1,800 contributors 172 countries Faculty Students Industry practitioners nanohub 2023 Expand the Footprint Increase Impact Sustainable Partners (both user & developer) CI Operations Being in the day-to-day workflow Personalized / customized Being in the day-to-day workflow Increase Incentives have minimum viable products seen as a success Developers / contributors meeting needs of all stakeholders Impact - Intellectual, Broad, Strategic NSF & Purdue scalable, reliable, well managed NSF & Purdue End-Users: SaaS and data End-Users: Being in the day-to-day workflow Personalized / customized Developers / contributors Being in the day-to-day workflow Increase Incentives Technology Service based - SaaS, data access (DaaS) Analytics driven, personalized delivery NSF & Purdue: Sustainability Technology Service based - SaaS, data access (DaaS) Analytics driven, personalized delivery NSF & Purdue: Sustainability NSF & Purdue NSF & Purdue 2017 user contacts: 2017 user contacts: 25 workshops/tutorials, 2,300 attendees, EABs 25 workshops/tutorials, 2,300 attendees, EABs Three Partner workshops w/ Industry, Govt. Lab Three Partner workshops w/ Industry, Govt. Lab

ATEs: content dissemination CEINT & Nanomaterials Registry (NR) CEINT - have: experimental data CEINT - need: broad exposure, integration with NR, tools NR - have Curation process, experimental data NR - need: broader community, visualization, CEINT&NR: want to keep their own sites & data - link/use nanohub services OpenKIM - external database, interoperability, SaaS Web-of-Science: interoperable publication listing service GRANTA - SaaS - interoperability AFRL/NIST - SaaS - DaaS - interoperability Partner workshops w/ Academia, Industry, Govt. Lab VISION Aspiration MISSION/VALUES Definition STRATEGY Operation GOALS & OBJECTIVES Action Where we want to go Why we exist & how we behave How we will achieve our vision and mission What actions we will take (and won t take) nanohub 2023 VISION Aspiration Where we want to go MISSION Definition Why we exist & how we behave