#chemchat — Public Fediverse posts
Live and recent posts from across the Fediverse tagged #chemchat, aggregated by home.social.
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Reading paper by Rath & Booth (Nat. Comm. 2026) on accelerated MD and eigenvector continuation method... Am I missing something, or 2-body transition density matrix is not needed? If only e-n potential changes, 1-body tRDM should be enough due to $\mel{\psi_1}{H_3}{\psi_2} = 0.5 * (S_12 (E_1 + E_2) + \mel{\psi_1}{\Delta_32 + \Delta_31}{\psi_2}$.
#CompChem #ChemChat -
Reading paper by Rath & Booth (Nat. Comm. 2026) on accelerated MD and eigenvector continuation method... Am I missing something, or 2-body transition density matrix is not needed? If only e-n potential changes, 1-body tRDM should be enough due to $\mel{\psi_1}{H_3}{\psi_2} = 0.5 * (S_12 (E_1 + E_2) + \mel{\psi_1}{\Delta_32 + \Delta_31}{\psi_2}$.
#CompChem #ChemChat -
Reading paper by Rath & Booth (Nat. Comm. 2026) on accelerated MD and eigenvector continuation method... Am I missing something, or 2-body transition density matrix is not needed? If only e-n potential changes, 1-body tRDM should be enough due to $\mel{\psi_1}{H_3}{\psi_2} = 0.5 * (S_12 (E_1 + E_2) + \mel{\psi_1}{\Delta_32 + \Delta_31}{\psi_2}$.
#CompChem #ChemChat -
Reading paper by Rath & Booth (Nat. Comm. 2026) on accelerated MD and eigenvector continuation method... Am I missing something, or 2-body transition density matrix is not needed? If only e-n potential changes, 1-body tRDM should be enough due to $\mel{\psi_1}{H_3}{\psi_2} = 0.5 * (S_12 (E_1 + E_2) + \mel{\psi_1}{\Delta_32 + \Delta_31}{\psi_2}$.
#CompChem #ChemChat -
Reading paper by Rath & Booth (Nat. Comm. 2026) on accelerated MD and eigenvector continuation method... Am I missing something, or 2-body transition density matrix is not needed? If only e-n potential changes, 1-body tRDM should be enough due to $\mel{\psi_1}{H_3}{\psi_2} = 0.5 * (S_12 (E_1 + E_2) + \mel{\psi_1}{\Delta_32 + \Delta_31}{\psi_2}$.
#CompChem #ChemChat -
I used to quite enjoy media criticism of chemical events (still do!) but it is a useful exercise to attempt to reword sentences yourself to practice How To Communicate Chemistry well (or at least, to your preferences) #chemchat
RE: https://bsky.app/profile/did:plc:anrpcemiqwbb3j4rh7pt5t2x/post/3mmmty65kc22f -
I used to quite enjoy media criticism of chemical events (still do!) but it is a useful exercise to attempt to reword sentences yourself to practice How To Communicate Chemistry well (or at least, to your preferences) #chemchat
RE: https://bsky.app/profile/did:plc:anrpcemiqwbb3j4rh7pt5t2x/post/3mmmty65kc22f -
I used to quite enjoy media criticism of chemical events (still do!) but it is a useful exercise to attempt to reword sentences yourself to practice How To Communicate Chemistry well (or at least, to your preferences) #chemchat
RE: https://bsky.app/profile/did:plc:anrpcemiqwbb3j4rh7pt5t2x/post/3mmmty65kc22f -
I used to quite enjoy media criticism of chemical events (still do!) but it is a useful exercise to attempt to reword sentences yourself to practice How To Communicate Chemistry well (or at least, to your preferences) #chemchat
RE: https://bsky.app/profile/did:plc:anrpcemiqwbb3j4rh7pt5t2x/post/3mmmty65kc22f -
I used to quite enjoy media criticism of chemical events (still do!) but it is a useful exercise to attempt to reword sentences yourself to practice How To Communicate Chemistry well (or at least, to your preferences) #chemchat
RE: https://bsky.app/profile/did:plc:anrpcemiqwbb3j4rh7pt5t2x/post/3mmmty65kc22f -
to sound like a sommelier, ya gotta know some chemistry #chemchat
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to sound like a sommelier, ya gotta know some chemistry #chemchat
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to sound like a sommelier, ya gotta know some chemistry #chemchat
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to sound like a sommelier, ya gotta know some chemistry #chemchat
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to sound like a sommelier, ya gotta know some chemistry #chemchat
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check out this structure of SR-17018 (via Wikipedia) and the photo of the compound from an app in China in the article - you'll note that the pendant 4-chlorophenyl is now a 4-bromophenyl and there's also now a methine #chemchat
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check out this structure of SR-17018 (via Wikipedia) and the photo of the compound from an app in China in the article - you'll note that the pendant 4-chlorophenyl is now a 4-bromophenyl and there's also now a methine #chemchat
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check out this structure of SR-17018 (via Wikipedia) and the photo of the compound from an app in China in the article - you'll note that the pendant 4-chlorophenyl is now a 4-bromophenyl and there's also now a methine #chemchat
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In 2013, I started following helium because of Felix Salmon's column on it (which, amusingly) was based on another Reuters column by an energy analyst, John Kemp. #chemchat web.archive.org/web/20130331...
RE: https://bsky.app/profile/did:plc:yeyl36oymo6dp6rlgibtljvo/post/3ml2ccapuxs2k
How helium is like mortgages -
In 2013, I started following helium because of Felix Salmon's column on it (which, amusingly) was based on another Reuters column by an energy analyst, John Kemp. #chemchat web.archive.org/web/20130331...
RE: https://bsky.app/profile/did:plc:yeyl36oymo6dp6rlgibtljvo/post/3ml2ccapuxs2k
How helium is like mortgages -
In 2013, I started following helium because of Felix Salmon's column on it (which, amusingly) was based on another Reuters column by an energy analyst, John Kemp. #chemchat web.archive.org/web/20130331...
RE: https://bsky.app/profile/did:plc:yeyl36oymo6dp6rlgibtljvo/post/3ml2ccapuxs2k
How helium is like mortgages -
Well that is a first for me. I had a quote in mind that I needed to cite. Couldn't remember where I had read it but knew I wanted to reuse it. So I searched, and discovered it was my quote originally. I wrote it. When do I get my stereotypical absent-minded scientist badge? #chemchat
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Well that is a first for me. I had a quote in mind that I needed to cite. Couldn't remember where I had read it but knew I wanted to reuse it. So I searched, and discovered it was my quote originally. I wrote it. When do I get my stereotypical absent-minded scientist badge? #chemchat
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Well that is a first for me. I had a quote in mind that I needed to cite. Couldn't remember where I had read it but knew I wanted to reuse it. So I searched, and discovered it was my quote originally. I wrote it. When do I get my stereotypical absent-minded scientist badge? #chemchat
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Well that is a first for me. I had a quote in mind that I needed to cite. Couldn't remember where I had read it but knew I wanted to reuse it. So I searched, and discovered it was my quote originally. I wrote it. When do I get my stereotypical absent-minded scientist badge? #chemchat
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Well that is a first for me. I had a quote in mind that I needed to cite. Couldn't remember where I had read it but knew I wanted to reuse it. So I searched, and discovered it was my quote originally. I wrote it. When do I get my stereotypical absent-minded scientist badge? #chemchat
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"UC Berkeley professor Kwabena Bediako under investigation for sexual harassment allegations" #chemchat
RE: https://bsky.app/profile/did:plc:xnhikac3aonuoeg6amhwrutx/post/3mjrg6ivvbc2l
