#quantumchemistry — Public Fediverse posts
Live and recent posts from across the Fediverse tagged #quantumchemistry, aggregated by home.social.
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🎉 I've been featured as one of 21 Early Career Investigators in the Journal of Natural Products 2026 Collection!
My work bridges quantum chemistry and pharmacognosy: asking computational questions about why natural products like hypericin behave the way they do as photosensitizers. Niche? Yes. Worth it? Absolutely.
📰 Editorial: https://doi.org/10.1021/acs.jnatprod.6c00551
#NaturalProducts #ComputationalChemistry #QuantumChemistry #Pharmacognosy #EarlyCareer #Habilitation#ACS #Hypericin #SciComm #Chemistry
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https://www.europesays.com/uk/958731/ A Strange Quantum Effect May Explain One of Biology’s Greatest Mysteries #biochemistry #Biophysics #Electrons #Physics #QuantumChemistry #QuantumPhysics #Science #Spintronics #TheHebrewUniversityOfJerusalem #UK #UnitedKingdom
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A Strange Quantum Effect May Explain One of Biology’s Greatest Mysteries
Researchers have uncovered a possible explanation for why living systems repeatedly choose one molecular form instead of its…
#NewsBeep #News #Physics #biochemistry #Biophysics #Electrons #Quantumchemistry #QuantumPhysics #Science #Spintronics #TheHebrewUniversityofJerusalem #UK #UnitedKingdom
https://www.newsbeep.com/uk/582504/ -
https://www.europesays.com/ie/483236/ A Strange Quantum Effect May Explain One of Biology’s Greatest Mysteries #Biochemistry #Biophysics #Éire #Electrons #IE #Ireland #Physics #QuantumChemistry #QuantumPhysics #Science #Spintronics #TheHebrewUniversityOfJerusalem
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https://www.europesays.com/ie/471592/ Controlling quantum properties with dry ice #DryIce #Éire #Hydrogen #IE #Ireland #Molecule #QuantumChemistry #Science #solids #SpinStates #TheoreticalChemistry
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`In this paper, we show a quantum simulator system that consists of a continuously driven Kerr parametric oscillator with a third-order nonlinearity that can be operated in the quantum regime to create a fully tunable asymmetric double-well. Our experiment leverages a low-noise, all-microwave control system with a high-efficiency readout, based on a tunnel Josephson junction circuit, of the which-well information.`
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`In this paper, we show a quantum simulator system that consists of a continuously driven Kerr parametric oscillator with a third-order nonlinearity that can be operated in the quantum regime to create a fully tunable asymmetric double-well. Our experiment leverages a low-noise, all-microwave control system with a high-efficiency readout, based on a tunnel Josephson junction circuit, of the which-well information.`
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`In this paper, we show a quantum simulator system that consists of a continuously driven Kerr parametric oscillator with a third-order nonlinearity that can be operated in the quantum regime to create a fully tunable asymmetric double-well. Our experiment leverages a low-noise, all-microwave control system with a high-efficiency readout, based on a tunnel Josephson junction circuit, of the which-well information.`
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`In this paper, we show a quantum simulator system that consists of a continuously driven Kerr parametric oscillator with a third-order nonlinearity that can be operated in the quantum regime to create a fully tunable asymmetric double-well. Our experiment leverages a low-noise, all-microwave control system with a high-efficiency readout, based on a tunnel Josephson junction circuit, of the which-well information.`
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`In this paper, we show a quantum simulator system that consists of a continuously driven Kerr parametric oscillator with a third-order nonlinearity that can be operated in the quantum regime to create a fully tunable asymmetric double-well. Our experiment leverages a low-noise, all-microwave control system with a high-efficiency readout, based on a tunnel Josephson junction circuit, of the which-well information.`
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Decode Quantum with Sabrina Maniscalco from Algorithmiq Welcome to the 84th episode of the Decode Quantum podcast series, which has now more than five years... https://www.oezratty.net/wordpress/2025/decode-quantum-with-sabrina-maniscalco-from-algorithmiq/ #PostSapiens #quantumenergyinitiative #quantumchemistry #clevelandclinic #algorithmiq #jaygambetta #actualités #quantique #nisq #ibm
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Decode Quantum with Sabrina Maniscalco from Algorithmiq Welcome to the 84th episode of the Decode Quantum podcast series, which has now more than five years... https://www.oezratty.net/wordpress/2025/decode-quantum-with-sabrina-maniscalco-from-algorithmiq/ #PostSapiens #quantumenergyinitiative #quantumchemistry #clevelandclinic #algorithmiq #jaygambetta #actualités #quantique #nisq #ibm
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Funded PhD - multiscale electrochemical modeling
University College DublinSee the full job description on jobRxiv: https://jobrxiv.org/job/university-college-dublin-27778-funded-phd-multiscale-electrochemical-modeling/
#battery #computationalfluiddynamics #electrochemistry #moleculardynamics #quantumchemistry #ScienceJobs #hiring #research
https://jobrxiv.org/job/university-college-dublin-27778-funded-phd-multiscale-electrochemical-modeling/?fsp_sid=10273 -
Simulating fermions with a digital quantum computer
Manin, Y. Computable and Uncomputable (Sovetskoye Radio, 1980). Feynman, R. P. in Feynman and Computation, 133–153 (CRC Press,…
#NewsBeep #News #Physics #CA #Canada #Computationalscience #general #Informationtheoryandcomputation #Quantumchemistry #Quantumsimulation #Science
https://www.newsbeep.com/ca/497020/ -
Simulating fermions with a digital quantum computer
Manin, Y. Computable and Uncomputable (Sovetskoye Radio, 1980). Feynman, R. P. in Feynman and Computation, 133–153 (CRC Press,…
#NewsBeep #News #Physics #Computationalscience #general #Informationtheoryandcomputation #Quantumchemistry #Quantumsimulation #Science #UK #UnitedKingdom
https://www.newsbeep.com/uk/443394/ -
Simulating fermions with a digital quantum computer
Manin, Y. Computable and Uncomputable (Sovetskoye Radio, 1980). Feynman, R. P. in Feynman and Computation, 133–153 (CRC Press,…
#NewsBeep #News #Physics #AU #Australia #Computationalscience #general #Informationtheoryandcomputation #Quantumchemistry #Quantumsimulation #Science
https://www.newsbeep.com/au/501533/ -
https://www.europesays.com/ie/354173/ Simulating fermions with a digital quantum computer #ComputationalScience #Éire #general #IE #InformationTheoryAndComputation #Ireland #Physics #QuantumChemistry #QuantumSimulation #Science
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https://www.europesays.com/uk/786344/ Simulating fermions with a digital quantum computer #ComputationalScience #general #InformationTheoryAndComputation #Physics #QuantumChemistry #QuantumSimulation #Science #UK #UnitedKingdom
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Molecular Physics Early Career Researcher Prize 2024 — the official profile article is now out! 🎉
The awarded paper focused on advanced quantum-chemical calculations for predicting bond lengths and vibrational frequencies — well outside my primary field of medicinal chemistry. I’m grateful this work has been recognised internationally. 💪
🔗 Profile: lnkd.in/dMWYe3qD
🔗 Paper: lnkd.in/eqPFKjQr
#MolecularPhysics #QuantumChemistry #EarlyCareerResearcher -
Molecular Physics Early Career Researcher Prize 2024 — the official profile article is now out! 🎉
The awarded paper focused on advanced quantum-chemical calculations for predicting bond lengths and vibrational frequencies — well outside my primary field of medicinal chemistry. I’m grateful this work has been recognised internationally. 💪
🔗 Profile: lnkd.in/dMWYe3qD
🔗 Paper: lnkd.in/eqPFKjQr
#MolecularPhysics #QuantumChemistry #EarlyCareerResearcher -
Molecular Physics Early Career Researcher Prize 2024 — the official profile article is now out! 🎉
The awarded paper focused on advanced quantum-chemical calculations for predicting bond lengths and vibrational frequencies — well outside my primary field of medicinal chemistry. I’m grateful this work has been recognised internationally. 💪
🔗 Profile: lnkd.in/dMWYe3qD
🔗 Paper: lnkd.in/eqPFKjQr
#MolecularPhysics #QuantumChemistry #EarlyCareerResearcher -
Molecular Physics Early Career Researcher Prize 2024 — the official profile article is now out! 🎉
The awarded paper focused on advanced quantum-chemical calculations for predicting bond lengths and vibrational frequencies — well outside my primary field of medicinal chemistry. I’m grateful this work has been recognised internationally. 💪
🔗 Profile: lnkd.in/dMWYe3qD
🔗 Paper: lnkd.in/eqPFKjQr
#MolecularPhysics #QuantumChemistry #EarlyCareerResearcher -
Molecular Physics Early Career Researcher Prize 2024 — the official profile article is now out! 🎉
The awarded paper focused on advanced quantum-chemical calculations for predicting bond lengths and vibrational frequencies — well outside my primary field of medicinal chemistry. I’m grateful this work has been recognised internationally. 💪
🔗 Profile: lnkd.in/dMWYe3qD
🔗 Paper: lnkd.in/eqPFKjQr
#MolecularPhysics #QuantumChemistry #EarlyCareerResearcher -
New preprint https://arxiv.org/abs/2511.06957
A #perspective discussing Moreau-Yosida (MY) techniques in #densityfunctionaltheory.
MY regularisation has enabled to import tools from #convexanalysis into #dft
providing a new mathematical understanding of the most important atomistic simulation approach
and new robust algorithms for Kohn-Sham #dft.Thanks to my co-authors from the #hylleraas centre and #oslomet for insightful discussions.
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New preprint https://arxiv.org/abs/2511.06957
A #perspective discussing Moreau-Yosida (MY) techniques in #densityfunctionaltheory.
MY regularisation has enabled to import tools from #convexanalysis into #dft
providing a new mathematical understanding of the most important atomistic simulation approach
and new robust algorithms for Kohn-Sham #dft.Thanks to my co-authors from the #hylleraas centre and #oslomet for insightful discussions.
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Chief Executive Officer
Quantum Biology InstituteThe Quantum Biology Institute is looking for a Chief Executive Officer to work with the board in overseeing all operations and sustainably advancing i
See the full job description on jobRxiv: https://jobrxiv.org/job/quantum-biology-institute-27778-chief-executive-officer/
#quantumbiology #quantumchemistry #ScienceJobs #hiring #research
https://jobrxiv.org/job/quantum-biology-institute-27778-chief-executive-officer/?fsp_sid=1992 -
Chief Executive Officer
Quantum Biology InstituteThe Quantum Biology Institute is looking for a Chief Executive Officer to work with the board in overseeing all operations and sustainably advancing i
See the full job description on jobRxiv: https://jobrxiv.org/job/quantum-biology-institute-27778-chief-executive-officer/
#quantumbiology #quantumchemistry #ScienceJobs #hiring #research
https://jobrxiv.org/job/quantum-biology-institute-27778-chief-executive-officer/?fsp_sid=1978 -
Postdoc in Theoretical chemistry at TU Dresden for proton difusion
Technische Universität DresdenSee the full job description on jobRxiv: https://jobrxiv.org/job/technische-universitat-dresden-27778-postdoc-in-theoretical-chemistry-at-tu-dresden-for-proton-difusion/
#2Dmaterials #densityfunctionaltheory #membrane #moleculardynamics #quantumchemistry...
https://jobrxiv.org/job/technische-universitat-dresden-27778-postdoc-in-theoretical-chemistry-at-tu-dresden-for-proton-difusion/?fsp_sid=1173 -
Meet our Managing Editor Dr. Marc Kielmann at Aromaticity 2025 in Mérida, Mexico 🇲🇽, Jan. 27–30, 2025. He is excited to chat with you about #OrganicChemistry, #ScientificPublishing and #OpenAccess.
➡️ https://www.beilstein-journals.org/bjoc/news/M5CP5RLBB3CBT6Z4L4NMJFHTHA?M=y
#Aromaticity2025 #TheoreticalChemistry #ComputationalChemistry #OrganicChemistry #PhysicalChemistry #QuantumChemistry #ChemTwitter #CompChem #TheoChem #aromaticity
#BJOC 💎 🔓 -
Meet our Managing Editor Dr. Marc Kielmann at Aromaticity 2025 in Mérida, Mexico 🇲🇽, Jan. 27–30, 2025. He is excited to chat with you about #OrganicChemistry, #ScientificPublishing and #OpenAccess.
➡️ https://www.beilstein-journals.org/bjoc/news/M5CP5RLBB3CBT6Z4L4NMJFHTHA?M=y
#Aromaticity2025 #TheoreticalChemistry #ComputationalChemistry #OrganicChemistry #PhysicalChemistry #QuantumChemistry #ChemTwitter #CompChem #TheoChem #aromaticity
#BJOC 💎 🔓 -
Meet our Managing Editor Dr. Marc Kielmann at Aromaticity 2025 in Mérida, Mexico 🇲🇽, Jan. 27–30, 2025. He is excited to chat with you about #OrganicChemistry, #ScientificPublishing and #OpenAccess.
➡️ https://www.beilstein-journals.org/bjoc/news/M5CP5RLBB3CBT6Z4L4NMJFHTHA?M=y
#Aromaticity2025 #TheoreticalChemistry #ComputationalChemistry #OrganicChemistry #PhysicalChemistry #QuantumChemistry #ChemTwitter #CompChem #TheoChem #aromaticity
#BJOC 💎 🔓 -
Meet our Managing Editor Dr. Marc Kielmann at Aromaticity 2025 in Mérida, Mexico 🇲🇽, Jan. 27–30, 2025. He is excited to chat with you about #OrganicChemistry, #ScientificPublishing and #OpenAccess.
➡️ https://www.beilstein-journals.org/bjoc/news/M5CP5RLBB3CBT6Z4L4NMJFHTHA?M=y
#Aromaticity2025 #TheoreticalChemistry #ComputationalChemistry #OrganicChemistry #PhysicalChemistry #QuantumChemistry #ChemTwitter #CompChem #TheoChem #aromaticity
#BJOC 💎 🔓 -
Meet our Managing Editor Dr. Marc Kielmann at Aromaticity 2025 in Mérida, Mexico 🇲🇽, Jan. 27–30, 2025. He is excited to chat with you about #OrganicChemistry, #ScientificPublishing and #OpenAccess.
➡️ https://www.beilstein-journals.org/bjoc/news/M5CP5RLBB3CBT6Z4L4NMJFHTHA?M=y
#Aromaticity2025 #TheoreticalChemistry #ComputationalChemistry #OrganicChemistry #PhysicalChemistry #QuantumChemistry #ChemTwitter #CompChem #TheoChem #aromaticity
#BJOC 💎 🔓 -
@ChemistryViews Angela Merkel and Joachim Sauer would be my guess. Both practitioners of #QuantumChemistry.
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Meet our Managing Editor Dr. Marc Kielmann at Aromaticity 2025 in Mérida, Mexico 🇲🇽, Jan. 27–30, 2025. He looks forward to chatting with you about #OrganicChemistry, #ScientificPublishing and #OpenAccess.
➡️ https://www.beilstein-journals.org/bjoc/news/M5CP5RLBB3CBT6Z4L4NMJFHTHA?M=y
#Aromaticity2025 #TheoreticalChemistry #ComputationalChemistry #OrganicChemistry #PhysicalChemistry #QuantumChemistry #ChemTwitter #CompChem #TheoChem #aromaticity
#BJOC 💎 🔓 -
Meet our Managing Editor Dr. Marc Kielmann at Aromaticity 2025 in Mérida, Mexico 🇲🇽, Jan. 27–30, 2025. He looks forward to chatting with you about #OrganicChemistry, #ScientificPublishing and #OpenAccess.
➡️ https://www.beilstein-journals.org/bjoc/news/M5CP5RLBB3CBT6Z4L4NMJFHTHA?M=y
#Aromaticity2025 #TheoreticalChemistry #ComputationalChemistry #OrganicChemistry #PhysicalChemistry #QuantumChemistry #ChemTwitter #CompChem #TheoChem #aromaticity
#BJOC 💎 🔓 -
Meet our Managing Editor Dr. Marc Kielmann at Aromaticity 2025 in Mérida, Mexico 🇲🇽, Jan. 27–30, 2025. He looks forward to chatting with you about #OrganicChemistry, #ScientificPublishing and #OpenAccess.
➡️ https://www.beilstein-journals.org/bjoc/news/M5CP5RLBB3CBT6Z4L4NMJFHTHA?M=y
#Aromaticity2025 #TheoreticalChemistry #ComputationalChemistry #OrganicChemistry #PhysicalChemistry #QuantumChemistry #ChemTwitter #CompChem #TheoChem #aromaticity
#BJOC 💎 🔓 -
Meet our Managing Editor Dr. Marc Kielmann at Aromaticity 2025 in Mérida, Mexico 🇲🇽, Jan. 27–30, 2025. He looks forward to chatting with you about #OrganicChemistry, #ScientificPublishing and #OpenAccess.
➡️ https://www.beilstein-journals.org/bjoc/news/M5CP5RLBB3CBT6Z4L4NMJFHTHA?M=y
#Aromaticity2025 #TheoreticalChemistry #ComputationalChemistry #OrganicChemistry #PhysicalChemistry #QuantumChemistry #ChemTwitter #CompChem #TheoChem #aromaticity
#BJOC 💎 🔓 -
Meet our Managing Editor Dr. Marc Kielmann at Aromaticity 2025 in Mérida, Mexico 🇲🇽, Jan. 27–30, 2025. He looks forward to chatting with you about #OrganicChemistry, #ScientificPublishing and #OpenAccess.
➡️ https://www.beilstein-journals.org/bjoc/news/M5CP5RLBB3CBT6Z4L4NMJFHTHA?M=y
#Aromaticity2025 #TheoreticalChemistry #ComputationalChemistry #OrganicChemistry #PhysicalChemistry #QuantumChemistry #ChemTwitter #CompChem #TheoChem #aromaticity
#BJOC 💎 🔓 -
A bit different content for this platform. We are group of theoretical chemistry at Technische Universität Dresden and will post here scientific news on #2D #materials, #QuantumChemistry, #CompChem, #heterostructures, #magnetism, #nanotechnology and #chemistry & #physics in general.
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Question for @jimalkhalili and @sellathechemist ...
@VergaraLautaro is looking to read a book or two which tells the story of how the advent of quantum mechanics impacted Chemistry. Specifically, how did the theory of orbitals and filling rules develop, what experiments confirmed them, and when. When and how were covalent and ionic bonds understood, etc. All of that.
Jim, I know you had a section on the influence of Quantum Physics on living systems, and Andrea, I know your work is likely to require significant knowledge of these things.
Can you point @VergaraLautaro in the right direction?
OK, HashTags
#Quantum #QuantumChemistry #Chemistry #MolecularBond #Orbitals #QuantumPhysics
CC: @Dyoung @doucelassie
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@WhatisBiotechnology … to this day.
#RussiaIsATerroristState and a dying country because the #Soviet official rejection of *both* the revolutionary #genetics 🧬 and #QuantumChemistry developments in ‘the West’ resulted in a #BrainDrain in #biology and #chemistry that they will *never* recover from.
And they clearly don’t know ‘the First Rule of Holes’ (Stop digging when you’re in one 🕳️) because now they’re putting their top physicists in gulags, too! https://www.bbc.com/news/articles/c8001gvp4dpo
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Met an old friend from #NewMexico at Los Alamos National Lab’s booth that was part of the #Expo at the #ACSChicago meeting in #Denver.
#Oppenheimer #QuantumChemistry -
Halogen Bonding in Polycyclic Aromatics
Quantum chemical calculations reveal how aromatic polycyclics of different sizes act as Lewis bases in halogen bonds, which is valuable for pharmaceutical drug
Behind the Science Interview with Steve Scheiner
https://www.chemistryviews.org/halogen-bonding-in-polycyclic-aromatics/
#chemistry #chemistryviews #chemiverse #QuantumChemistry #halogenbond #behindthescience #research
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Halogen Bonding in Polycyclic Aromatics
Quantum chemical calculations reveal how aromatic polycyclics of different sizes act as Lewis bases in halogen bonds, which is valuable for pharmaceutical drug
Behind the Science Interview with Steve Scheiner
https://www.chemistryviews.org/halogen-bonding-in-polycyclic-aromatics/
#chemistry #chemistryviews #chemiverse #QuantumChemistry #halogenbond #behindthescience #research
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Halogen Bonding in Polycyclic Aromatics
Quantum chemical calculations reveal how aromatic polycyclics of different sizes act as Lewis bases in halogen bonds, which is valuable for pharmaceutical drug
Behind the Science Interview with Steve Scheiner
https://www.chemistryviews.org/halogen-bonding-in-polycyclic-aromatics/
#chemistry #chemistryviews #chemiverse #QuantumChemistry #halogenbond #behindthescience #research
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Halogen Bonding in Polycyclic Aromatics
Quantum chemical calculations reveal how aromatic polycyclics of different sizes act as Lewis bases in halogen bonds, which is valuable for pharmaceutical drug
Behind the Science Interview with Steve Scheiner
https://www.chemistryviews.org/halogen-bonding-in-polycyclic-aromatics/
#chemistry #chemistryviews #chemiverse #QuantumChemistry #halogenbond #behindthescience #research
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Halogen Bonding in Polycyclic Aromatics
Quantum chemical calculations reveal how aromatic polycyclics of different sizes act as Lewis bases in halogen bonds, which is valuable for pharmaceutical drug
Behind the Science Interview with Steve Scheiner
https://www.chemistryviews.org/halogen-bonding-in-polycyclic-aromatics/
#chemistry #chemistryviews #chemiverse #QuantumChemistry #halogenbond #behindthescience #research
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@mariapopova I believe you correctly surmise “how staggered (Emily Dickinson’s) pliant young mind must have been to learn that scientists had just proven the existence of atoms.”
But #physicists didn’t accept the #AtomicTheory until #AlbertEinstein demonstrated its verity through Brownian motion over a *century* after #JohnDalton proposed it.
Both ‘particle #chemistry ‘ and #QuantumChemistry predate their #physics counterparts by a century since Dalton quantized *mass*!
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@mariapopova I believe you correctly surmise “how staggered (Emily Dickinson’s) pliant young mind must have been to learn that scientists had just proven the existence of atoms.”
But #physicists didn’t accept the #AtomicTheory until #AlbertEinstein demonstrated its verity through Brownian motion over a *century* after #JohnDalton proposed it.
Both ‘particle #chemistry ‘ and #QuantumChemistry predate their #physics counterparts by a century since Dalton quantized *mass*!