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researcher

A. Roitberg

6 papers hereh-index 6123.5k citations248 works total

Matching runs newest-first, so older work may not be attached to this profile yet.

author position
  • middle author2
  • last author4

Across the 6 of 6 papers where every author was matched, so the position is known.

fields
  • physics.chem-ph4
  • cond-mat.mtrl-sci1
  • cond-mat.stat-mech1
same name
  • A. Roitberg — 8 papers, h 6

Either other researchers who publish under this name, or the same person where the external sources have not merged their records.

identity via Semantic Scholar / OpenAlex

activity
20172023
most citedANI-1: A data set of 20M off-equilibrium DFT calculations for organic molecules

341 citations · 374 across the 2 of their papers we have counts for

collaborators
Showing 2017Show all

1 paper · 1 filter

physics.chem-ph2017★ 341 cited

ANI-1: A data set of 20M off-equilibrium DFT calculations for organic molecules

Justin S. Smith, Olexandr Isayev, Adrian E. Roitberg

One of the grand challenges in modern theoretical chemistry is designing and implementing approximations that expedite ab initio methods without loss of accuracy. Machine learning…

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Not affiliated with arXiv. Researcher data from Semantic Scholar (ODC-BY) and OpenAlex.