lonepair.bsky.social
Virtual Chemist; Professor #ImperialCollege; Editor #JACS; Liúdramán; Personal Opinions; He/Him
122 posts
1,284 followers
784 following
Prolific Poster
Conversation Starter
comment in response to
post
I was so warmly welcomed and learned a lot. It's a vibrant chemistry department. Thanks again Nobuhiro!
comment in response to
post
You may find github.com/Sangwon91/PO... useful!
comment in response to
post
@chhendon.bsky.social this brought to mind some of the flavour notes from your ☕ podcast
comment in response to
post
“Because you have a nice movie doesn’t mean your simulation is correct”
comment in response to
post
It is the thickest Faraday Discussions volume on my shelf. A special event and a great snapshot of the field!
comment in response to
post
Yes, well - FHI-aims works. AFAIK our periodic hybrid DFT can reach systems that I haven't seen anywhere else pubs.aip.org/aip/jcp/arti... ... and in addition to much development (as always) we spent a lot of time on tutorials, webinars, etc. recently.
comment in response to
post
I tried our generative model for fun. Even that struggles to find a structure with reasonable connectivity for that stoichiometry
comment in response to
post
At least failed dependencies and broken workflows show the students the joys of real research!
comment in response to
post
Jingyu showed Martin Freer, James Gaade and Matthew Howard around the brand new high throughput battery equipment he is commissioning for @digibat.bsky.social as we strive towards a self driving lab!
comment in response to
post
It's a great idea Alán and will be very helpful for contemporary collaborative research.
IOP tried SciNotes some years ago (iopscience.iop.org/journal/2633...) for lighter reports, which was a nice concept but couldn't survive as a stand-alone journal.