Link
Embed
Share
Beginning
This slide
Copy link URL
Copy link URL
Copy iframe embed code
Copy iframe embed code
Copy javascript embed code
Copy javascript embed code
Share
Tweet
Share
Tweet
Slide 1
Slide 1 text
Q#ͱNWChemΛࢼͯ͠Έͨ QunaSys CEO ༶ ఱ !1 Build 2019 local community event for Q# in Tokyo
Slide 2
Slide 2 text
Outline I. ձࣾհ II. ྔࢠίϯϐϡʔλͰྔࢠԽֶܭࢉ III. Q#ͱNWChemʹ͍ͭͯ !2
Slide 3
Slide 3 text
ձࣾհ !3
Slide 4
Slide 4 text
Confidential ձࣾհ !4 ֓ཁ ໊ࣾ גࣜձࣾQunaSys ʢΩϡφγεʣ ઃཱ 20182݄ ࣄۀ༰ • ສೳྔࢠίϯϐϡʔλͷ ΞϧΰϦζϜɾιϑτ։ൃ • ڞಉݚڀ ϝσΟΞܝࡌ
Slide 5
Slide 5 text
Quantum Summitͷ։࠵ ྔࢠίϯϐϡʔλͷجຊ͔ΒϏδωεԠ༻ํ๏Λ·ͱΊͨΠϕϯτ !5 https://www.q-summit.net/ 2ؒͰ200ਓΛ͢ࢀՃऀʹ ͝དྷ͖·ͨ͠ɻ ੈքͰ׆༂͢Δۀքؔऀ 24໊ʹ͝ߨԋ͖·ͨ͠ɻ ଟ͘ͷاۀɾେֶʹεϙϯαʔ͖·ͨ͠ɻ ߨԋࢿྉ: https://speakerdeck.com/qunasys/ quantum-summit-2019
Slide 6
Slide 6 text
Quantum Native Dojo !6 ྔࢠίϯϐϡʔλษڧڭࡐ ࣍ ===== ୈ1෦ɿجૅฤ ===== 0. ͦͦྔࢠίϯϐϡʔλͱʁ 1. ྔࢠใͷجૅ 2. ྔࢠΞϧΰϦζϜೖ 3. ྔࢠΞϧΰϦζϜͷ࣮ߦڥ ===== ୈ2෦ɿNISQฤ ===== 4. ྔࢠμΠφϛΫεγϛϡϨʔγϣϯ 5. มྔࢠճ࿏ʹجͮ͘ΞϧΰϦζϜ 6. ྔࢠԽֶܭࢉ ===== ୈ3෦ɿLong-termฤ ===== 7. Ґ૬ਪఆʹجͮ͘ΞϧΰϦζϜ 8. ΦϥΫϧΞϧΰϦζϜ 9. ྔࢠޡΓగਖ਼ೖ ྔࢠίϯϐϡʔλʹؔ͢Δલఏࣝෆཁͳ ษڧڭࡐɻ Near term͔ΒLong termΞϧΰϦζϜ·ͰΛ ͘Χόʔ͠ແྉʂ Google ColabΛͬͯϓϩάϥϛϯάڥ͕ͳͯ͘ ࣮ίʔυΛಈ͔͠ͳ͕ΒֶΔɻ https://dojo.qulacs.org https://github.com/qulacs/quantum-native-dojo
Slide 7
Slide 7 text
ྔࢠίϯϐϡʔλͰྔࢠԽֶܭࢉ !7
Slide 8
Slide 8 text
ྔࢠͷ࣌ʹඋ͑Δํ๏ ྔࢠίϯϐϡʔλԿͰͰ͖ ΔͱࢥΘΕ͕͕ͪͩɺ ࢈ۀ͝ͱʹ্ཱ͕ͪΓͷ࣌ظͱ ΠϯύΫτେ͖͘ҟͳΔ ਖ਼͍ࣝ͠ʹج͍ͮͨɺՄೳੑͷݟۃΊ BCG࡞ϨϙʔτΑΓɺҾ༻ ʢhttps://www.bcg.com/ja-jp/publications/2018/next-decade-quantum-computing-how-play.aspxʣ Խֶʢಛʹεϖγϟ ϦςΟέϛΧϧʣ ࠷࣮ݱੑ͕ߴ͍ͱ ͞ΕΔ !8 ࣗવݹయྗֶͰಈ͔ͳ͍ɻ ͠ɺࣗવΛγϛϡϨʔγϣϯ ͚ͨ͠Εɺ ྔࢠྗֶʹج͍ͮͨܭࢉػ Λ࡞Δ͖ͩɻ Richard Feynman
Slide 9
Slide 9 text
ྔࢠԽֶܭࢉ on ྔࢠίϯϐϡʔλ ࢠيಓ๏ͱqubitͷؔ جຊతʹ 1qubit = 1جఈؔ(sto-3gͳͲ) !9 !" !# !$ %" %# %& |1 1 1 1 ⋯ 1 1 0 0 ⋯ 0 0⟩ !" !# !$ %" %& |1 1 1 1 ⋯ 1 0 1 0 ⋯ 0 0⟩
Slide 10
Slide 10 text
ྔࢠԽֶܭࢉख๏ɿVQE !10 ม๏Λ༻͍ͨख๏ ! " 11 ⋯ 100 ⋯ 0 &(") )* +* ( A min " &(")|0|&(") ( " ) A. Perruzo et al, Nature Communications, 5, 4213 (2014) ΤωϧΪʔͷଌఆͰ࠷খʹͳΔ㱺 ࠷খݻ༗ͷݻ༗ϕΫτϧ
Slide 11
Slide 11 text
Q#ͱNWChemʹ͍ͭͯ !11
Slide 12
Slide 12 text
Q# and NWChem: Tools for Scalable Quantum Chemistry • NWChem: Φʔϓϯιʔεͷ ྔࢠԽֶܭࢉϥΠϒϥϦ • Quantum Development Kit chemistry library: Microsoft͕࠷ۙެ։ɻ ྔࢠԽֶ͚ྔࢠܭࢉ ϥΠϒϥϦ(written in Q#) • ৽͍͠ϑΝΠϧܗࣜ ʮBroombridgeʯʹΑΓɺ γʔϜϨεʹྔࢠԽֶܭࢉ Λ࣮ߦՄ !12 https://www.youtube.com/watch?v=Hxz0tH8jDfQ
Slide 13
Slide 13 text
Q#ͱNWChemͷྲྀΕ !13
Slide 14
Slide 14 text
ྔࢠԽֶܭࢉ on Q# & NWChem !14 ܭࢉϓϩηε ྔࢠίϯϐϡʔλͰѻ͑Δܗࣜʹ Jordan-WignerมɺBravyi-Kitaevมɺɾɾɾ ୈೋྔࢠԽϋϛϧτχΞϯ࡞ ॏͳΓੵܭࢉ جఈΤωϧΪʔཧྔܭࢉ มΞϧΰϦζϜɺҐ૬ਪఆɺݫີର֯Խɺɾɾɾ ࣭ͷύϥϝʔλೖྗ ݩૉه߸ɺஔɺجఈؔɺɾɾɾ ϥΠϒϥϦ Q# Quantum Development Kit
Slide 15
Slide 15 text
EMSL Arrows ࣭ͷใ͔ΒॏͳΓੵΛܭࢉ → ୈೋྔࢠԽϋϛϧτχΞϯ (Broombridgeܗࣜ) Λग़ྗ !15 NWChemͷΦϯϥΠϯϑϩϯτΤϯυ https://arrows.emsl.pnnl.gov/api/qsharp_chem
Slide 16
Slide 16 text
Broombridge format Broombridge: • NWChemͷग़ྗΛQ#Ͱར༻Ͱ ͖Δܗʹͨ͠ͷ • YAMLܗࣜͰݪࢠஔɺॏͳΓ ੵͷใ͕֨ೲ͞Ε͍ͯΔ !16 ୈೋྔࢠԽϋϛϧτχΞϯͷอଘܗࣜʢྫɿH2ࢠʣ H2ࢠͷݪࢠஔ ୈೋྔࢠԽϋϛϧτχΞϯ ʢॏͳΓੵʣ https://docs.microsoft.com/en-us/quantum/libraries/chemistry/installation?view=qsharp-preview#using-the-quantum-development-kit-with-nwchem
Slide 17
Slide 17 text
ϑΝΠϧಡΈࠐΈ& JWม BroombridgeϑΝΠϧʢyamlʣ͔ΒୈೋྔࢠԽϋϛϧτχΞϯಡΈࠐΈ Jordan-WignerมʹΑΓɺྔࢠίϯϐϡʔλ͕ѻ͑Δܗࣜʹ !17
Slide 18
Slide 18 text
جఈΤωϧΪʔܭࢉ • ίʔυͷ͋ΔσΟϨΫτϦ (Quantum.Chemistry.Molecular Hydrogen) ʹҠಈ͠dotnet run • ϋϛϧτχΞϯ • Jordan-Wignerม • TrotterizationʹΑΔجఈΤω ϧΪʔܭࢉ !18 H2ࢠͷجఈΤωϧΪʔ https://docs.microsoft.com/en-us/quantum/libraries/chemistry/samples/molecular-hydrogen
Slide 19
Slide 19 text
ඞཁϦιʔεͷݟੵΓ GetGateCountΛ༻͍ͯ ඞཁήʔτͷݟੵΓ Trotterization֤छ๏ ʹ͓͚Δɺ ΤωϧΪʔܭࢉʹඞཁ ήʔτ͕ಘΒΕΔ !19 ΤωϧΪʔܭࢉ͕ࠔͰɺඞཁήʔτͷݟੵΓ͕Մೳ https://docs.microsoft.com/en-us/quantum/libraries/chemistry/installation?view=qsharp-preview#using-the-quantum-development-kit-with-nwchem
Slide 20
Slide 20 text
VQEΛ༻͍ͨجఈΤωϧΪʔܭࢉ !20 H2ࢠͷجఈঢ়ଶΤωϧΪʔ https://github.com/christopherkang/Quantum/tree/master/Samples/src/VQESimulation ݫີͳʢ-1.137 hartreeʣ ͱ͍ۙ
Slide 21
Slide 21 text
·ͱΊ ྔࢠԽֶɿྔࢠίϯϐϡʔλͷ࠷ॳͷΞϓϦέʔγϣϯ ӳޠ : NWChem + Q# ຊޠɿpyscf + openfermion + qulacs @Quantum Native Dojo!! !21 ͱݴ͍͍͚ͨͲɺ ࠓྔࢠίϯϐϡʔλʹऔΓ ΜͰ͍Δօ͞Μʂʂ ࣗͷྔࢠίϯϐϡʔλݴޠΛ ࡞Γ·͠ΐ͏ɻ ࠓͳΒ·ͩؒʹ߹͏ʂ 3ޙ࣮͢Δͷ͕ ଟ͗ͯ͢ݸਓͰແཧʹͳΔɻ qlazy: https://github.com/samn33/qlazy QuPy: https://github.com/ken-nakanishi/qupy
Slide 22
Slide 22 text
We are Quantum Native.