BibTeX records: Sotiris S. Xantheas

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@article{DBLP:journals/jcisd/HelalFBSHKMRKLDXC24,
  author       = {Hatem Helal and
                  Jesun Firoz and
                  Jenna A. Bilbrey and
                  Henry Sprueill and
                  Kristina M. Herman and
                  Mario Michael Krell and
                  Tom Murray and
                  Manuel Lopez Roldan and
                  Mike Kraus and
                  Ang Li and
                  Payel Das and
                  Sotiris S. Xantheas and
                  Sutanay Choudhury},
  title        = {Acceleration of Graph Neural Network-Based Prediction Models in Chemistry
                  via Co-Design Optimization on Intelligence Processing Units},
  journal      = {J. Chem. Inf. Model.},
  volume       = {64},
  number       = {5},
  pages        = {1568--1580},
  year         = {2024}
}

@article{DBLP:journals/corr/abs-2211-04598,
  author       = {Jenna A. Bilbrey and
                  Kristina M. Herman and
                  Henry Sprueill and
                  Sotiris S. Xantheas and
                  Payel Das and
                  Manuel Lopez Roldan and
                  Mike Kraus and
                  Hatem Helal and
                  Sutanay Choudhury},
  title        = {Reducing Down(stream)time: Pretraining Molecular GNNs using Heterogeneous
                  {AI} Accelerators},
  journal      = {CoRR},
  volume       = {abs/2211.04598},
  year         = {2022}
}

@article{DBLP:journals/corr/abs-2211-13853,
  author       = {Hatem Helal and
                  Jesun Firoz and
                  Jenna A. Bilbrey and
                  Mario Michael Krell and
                  Tom Murray and
                  Ang Li and
                  Sotiris S. Xantheas and
                  Sutanay Choudhury},
  title        = {Extreme Acceleration of Graph Neural Network-based Prediction Models
                  for Quantum Chemistry},
  journal      = {CoRR},
  volume       = {abs/2211.13853},
  year         = {2022}
}

@article{DBLP:journals/ijhpca/AlexanderABBCCC21,
  author       = {Francis J. Alexander and
                  James A. Ang and
                  Jenna A. Bilbrey and
                  Jan Balewski and
                  Tiernan Casey and
                  Ryan Chard and
                  Jong Choi and
                  Sutanay Choudhury and
                  Bert J. Debusschere and
                  Anthony M. DeGennaro and
                  Nikoli Dryden and
                  J. Austin Ellis and
                  Ian T. Foster and
                  Cristina Garcia{-}Cardona and
                  Sayan Ghosh and
                  Peter Harrington and
                  Yunzhi Huang and
                  Shantenu Jha and
                  Travis Johnston and
                  Ai Kagawa and
                  Ramakrishnan Kannan and
                  Neeraj Kumar and
                  Zhengchun Liu and
                  Naoya Maruyama and
                  Satoshi Matsuoka and
                  Erin McCarthy and
                  Jamaludin Mohd{-}Yusof and
                  Peter Nugent and
                  Yosuke Oyama and
                  Thomas Proffen and
                  David Pugmire and
                  Sivasankaran Rajamanickam and
                  Vinay Ramakrishniah and
                  Malachi Schram and
                  Sudip K. Seal and
                  Ganesh Sivaraman and
                  Christine Sweeney and
                  Li Tan and
                  Rajeev Thakur and
                  Brian Van Essen and
                  Logan T. Ward and
                  Paul M. Welch and
                  Michael Wolf and
                  Sotiris S. Xantheas and
                  Kevin G. Yager and
                  Shinjae Yoo and
                  Byung{-}Jun Yoon},
  title        = {Co-design Center for Exascale Machine Learning Technologies (ExaLearn)},
  journal      = {Int. J. High Perform. Comput. Appl.},
  volume       = {35},
  number       = {6},
  pages        = {598--616},
  year         = {2021}
}

@article{DBLP:journals/jcc/BrabecBKXLV21,
  author       = {Jiri Brabec and
                  Jan Brandejs and
                  Karol Kowalski and
                  Sotiris S. Xantheas and
                  {\"{O}}rs Legeza and
                  Libor Veis},
  title        = {Massively parallel quantum chemical density matrix renormalization
                  group method},
  journal      = {J. Comput. Chem.},
  volume       = {42},
  number       = {8},
  pages        = {534--544},
  year         = {2021}
}

@article{DBLP:journals/corr/abs-2012-00131,
  author       = {Sutanay Choudhury and
                  Jenna A. Bilbrey and
                  Logan T. Ward and
                  Sotiris S. Xantheas and
                  Ian T. Foster and
                  Joseph P. Heindel and
                  Ben Blaiszik and
                  Marcus E. Schwarting},
  title        = {HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions
                  and Structural Motifs in Predictive and Generative Models for Molecular
                  Data},
  journal      = {CoRR},
  volume       = {abs/2012.00131},
  year         = {2020}
}

@article{DBLP:journals/sensors/KusakaIXE10,
  author       = {Ryoji Kusaka and
                  Yoshiya Inokuchi and
                  Sotiris S. Xantheas and
                  Takayuki Ebata},
  title        = {Structures and Encapsulation Motifs of Functional Molecules Probed
                  by Laser Spectroscopic and Theoretical Methods},
  journal      = {Sensors},
  volume       = {10},
  number       = {4},
  pages        = {3519--3548},
  year         = {2010}
}

@inproceedings{DBLP:conf/sc/ApraRHTdX09,
  author       = {Edoardo Apr{\`{a}} and
                  Alistair P. Rendell and
                  Robert J. Harrison and
                  Vinod Tipparaju and
                  Wibe A. de Jong and
                  Sotiris S. Xantheas},
  title        = {Liquid water: obtaining the right answer for the right reasons},
  booktitle    = {{SC}},
  publisher    = {{ACM}},
  year         = {2009}
}