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Seeing Electron Orbital Signatures

Supercomputing simulations on TACC's Stampede2 system spot electronic differences in adjacent transition-metal atoms

United statesJamesr chelikowskyMoncrief jrCollege of natural sciencesPrinceton universityPrinceton materials instituteTexas advanced computing centerOden institute for computational engineeringNational science foundationNature communicationsEditor highlightComputational materialsChemical engineeringNatural sciencesOden instituteComputational engineering

Seeing electron orbital signatures

Seeing electron orbital signatures
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United statesPengcheng chenAnnabella selloniAdams grossEmilya carterMoncrief jrNan yaoCraigb arnoldYunlong zhangJamesr chelikowskyOden institute for computational engineeringTexas advanced computing centerCollege of natural sciencesMethod of researchWelch foundationNature communications

A New Quantum Approach To Solve Electronic Structures Of Complex Materials

Researchers at Argonne explore the possibility of solving the electronic structures of complex molecules using a quantum computer.

Marco govoniBenchen huangGiulia galliMidwest integrated centerNational quantum information science research centerArgonne national laboratoryGalli groupUchicago consortium for advanced scienceOffice of basic energy sciencesUs department of energyDepartment of chemistryPritzker schoolMolecular engineeringChemical theoryQuantum information science research centerComputational materials

A New Quantitative Approach To Solving The Electronic Structures Of Complex Materials

If you know the atoms that make up a given molecule or solid, the interactions between those atoms can be determined mathematically, by solving quantum

Benchen huangJulia galliMarco giovanniGiulia galliNational quantum information science research centerMidwest integrated centerGalli groupUs department of energyUniversity of chicago department chemistryPritzker school of molecular engineeringUchicago consortium for advanced scienceArgonne national laboratoryArgonne nationalPritzker schoolMolecular engineeringChemical theory

Coweta middle schoolers pitch inventions in annual competition

Daniel Rueda Felix’s concerns about climate change led to his Grand Award in this year’s Shark Tank competition.

Daniel rueda felixAndrew naseHampton keithKaylana shrileyKylie wattsBella davisGrier bradyLucy johnsonRueda felixKate collinsSarah jacobsPreston lewisKeegan wimbushBrittany pankoppCatherine nolanDaphne anguiano

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