Adrian Roitberg
@adrianroitberg.bsky.social
Tries to pass as a computational chemist. Bostero fanatic. He/Him. Comments are my own and do not reflect my institution.
No Kings. Gainesville, Florida.
October 18, 2025 at 10:52 PM
No Kings. Gainesville, Florida.
Grand Central Station, NYC. #photography
September 6, 2025 at 7:51 PM
Grand Central Station, NYC. #photography
Antifascist march in DC.
August 16, 2025 at 6:25 PM
Antifascist march in DC.
Surely there are other ways to learn about reaction pathways without hiking in the pyrinees. But why would you?
July 4, 2025 at 12:14 PM
Surely there are other ways to learn about reaction pathways without hiking in the pyrinees. But why would you?
May 2, 2025 at 11:32 PM
Silver surfer @mdarrows.bsky.social, PhD #34 from the Roitberg group!!!
April 1, 2025 at 11:12 PM
Silver surfer @mdarrows.bsky.social, PhD #34 from the Roitberg group!!!
Amazing @nickterrel.bsky.social, PhD #33 from the Roitberg group.
March 31, 2025 at 8:26 PM
Amazing @nickterrel.bsky.social, PhD #33 from the Roitberg group.
Super Jedi @olexandr.bsky.social showing off!
March 23, 2025 at 10:24 PM
Super Jedi @olexandr.bsky.social showing off!
Da Moon, Da Moon !
March 14, 2025 at 1:05 AM
Da Moon, Da Moon !
Super @ignaciopickering.bsky.social PhD #32 from our group!
March 14, 2025 at 12:39 AM
Super @ignaciopickering.bsky.social PhD #32 from our group!
Nice paper ! I will read more carefully, but... The authors write: “...methods such as ANI ... require computational resources similar to DFTB-based methods”. This is not correct. doi 10.26434/chemrxiv-2025-4mbsk-v2
This paper shows that ANI is 4-5 orders of magnitude faster than GFN2-xTB.
This paper shows that ANI is 4-5 orders of magnitude faster than GFN2-xTB.
March 2, 2025 at 9:19 PM
Nice paper ! I will read more carefully, but... The authors write: “...methods such as ANI ... require computational resources similar to DFTB-based methods”. This is not correct. doi 10.26434/chemrxiv-2025-4mbsk-v2
This paper shows that ANI is 4-5 orders of magnitude faster than GFN2-xTB.
This paper shows that ANI is 4-5 orders of magnitude faster than GFN2-xTB.
The IR figure in the same paper is also a candidate for best hand-drawn art...
February 18, 2025 at 9:24 PM
The IR figure in the same paper is also a candidate for best hand-drawn art...
The great Patrick Walters (not in bsky?) explaining how to pick a wine, using Machine Learning. Seminar at Chemistry@U Florida.
February 18, 2025 at 5:11 PM
The great Patrick Walters (not in bsky?) explaining how to pick a wine, using Machine Learning. Seminar at Chemistry@U Florida.
@valeklei.bsky.social asked ACS through the other place and she got...
February 5, 2025 at 12:34 AM
@valeklei.bsky.social asked ACS through the other place and she got...
moon tonight. Canon R8, RF24-240 @ 240, F8, 1/100 #astrophotography
February 5, 2025 at 12:15 AM
moon tonight. Canon R8, RF24-240 @ 240, F8, 1/100 #astrophotography