Daniel G. A. Smith

Also affiliated with Sustainable Sciences Institute

Materials SciencePhysics and AstronomyBiochemistry, Genetics and Molecular BiologyComputer Science

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 100%percentile

0Author DataRank

Indexed papers

0in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Papers

Driven by 9 papers. Top paper: “P SI4 1.4: Open-source software for high-throughput quantum chemistry”.

P SI4 1.4: Open-source software for high-throughput quantum chemistry

The Journal of Chemical Physics(2020)10.1063/5.0006002

N/A

1.0DataRank · unranked

955 citations

Lori A. Burns, Andrew C. Simmonett, Robert M. Parrish, Matthew Cole Schieber, Raimondas Galvelis +30 more

#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol

The International Journal of High Performance Computing Applications(2022)10.1177/10943420221128233

N/A

0.689DataRank · unranked

98 citations

Lorenzo Casalino, Fiona L. Kearns, Mia A. Rosenfeld, Nicholas Wauer, Surl-Hee Ahn +47 more

#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol

bioRxiv (Cold Spring Harbor Laboratory)(2021)10.1101/2021.11.12.468428

N/A

0.505DataRank · unranked

28 citations

Lorenzo Casalino, Fiona L. Kearns, Mia A. Rosenfeld, Nicholas Wauer, Surl-Hee Ahn +47 more

Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry

ChemRxiv(2020)10.26434/chemrxiv.11930031

N/A

0DataRank · unranked

32 citations

Lori A. Burns, Andrew C. Simmonett, Robert M. Parrish, Matthew Schieber, Raimondas Galvelis +30 more

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

ChemRxiv(2020)10.26434/chemrxiv.13082561.v2

N/A

0DataRank · unranked

31 citations

Daniel G. A. Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan +13 more

Psi4 1.4: Open-Source Software for High-Throughput Quantum Chemistry

ChemRxiv(2020)10.26434/chemrxiv.11930031.v1

N/A

0DataRank · unranked

91 citations

Lori A. Burns, Andrew C. Simmonett, Robert M. Parrish, Matthew Schieber, Raimondas Galvelis +30 more

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs

The Journal of Chemical Physics(2021)10.1063/5.0059356

N/A

0DataRank · unranked

45 citations

Annabelle Lolinco, Zachary L. Glick, Jiyoung Lee, Asem Alenaizan, Taylor Barnes +43 more

Driving torsion scans with wavefront propagation

The Journal of Chemical Physics(2020)10.1063/5.0009232

N/A

0DataRank · unranked

47 citations

Daniel G. A. Smith, Chaya Stern, Mudong Feng, Hyesu Jang, Lee‐Ping Wang +1 more

Capturing non-local through-bond effects in molecular mechanics force fields I: Fragmenting molecules for quantum chemical torsion scans [Article v1.1]

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.08.27.270934

N/A

0DataRank · unranked

15 citations

Christopher I. Bayly, Daniel G. A. Smith, Josh Fass, Lee‐Ping Wang, David L. Mobley +2 more