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ORCIDHelgi I. Ingólfsson
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2020 – today
- 2022
[j5]Harsh Bhatia
, Jayaraman J. Thiagarajan, Rushil Anirudh, T. S. Jayram, Tomas Oppelstrup, Helgi I. Ingólfsson, Felice C. Lightstone, Peer-Timo Bremer:
A biology-informed similarity metric for simulated patches of human cell membrane. Mach. Learn. Sci. Technol. 3(3): 35010 (2022)- [i2]Konstantia Georgouli, Helgi I. Ingólfsson, Fikret Aydin, Mark Heimann, Felice C. Lightstone, Peer-Timo Bremer, Harsh Bhatia:
Emerging Patterns in the Continuum Representation of Protein-Lipid Fingerprints. CoRR abs/2207.04333 (2022) - [i1]Fikret Aydin, Konstantia Georgouli, Gautham Dharuman, James N. Glosli, Felice C. Lightstone, Helgi I. Ingólfsson, Peer-Timo Bremer, Harsh Bhatia:
Identifying Orientation-specific Lipid-protein Fingerprints using Deep Learning. CoRR abs/2207.06630 (2022) - 2021
- [j4]Harsh Bhatia, Timothy S. Carpenter, Helgi I. Ingólfsson, Gautham Dharuman, Piyush Karande, Shusen Liu, Tomas Oppelstrup, Chris Neale, Felice C. Lightstone, Brian Van Essen, James N. Glosli, Peer-Timo Bremer:
Machine-learning-based dynamic-importance sampling for adaptive multiscale simulations. Nat. Mach. Intell. 3(5): 401-409 (2021) - [c3]Harsh Bhatia, Francesco Di Natale, Joseph Y. Moon, Xiaohua Zhang, Joseph R. Chavez, Fikret Aydin, Christopher B. Stanley, Tomas Oppelstrup, Chris Neale, Sara Kokkila Schumacher, Dong H. Ahn, Stephen Herbein, Timothy S. Carpenter, Sandrasegaram Gnanakaran, Peer-Timo Bremer, James N. Glosli, Felice C. Lightstone, Helgi I. Ingólfsson:
Generalizable coordination of large multiscale workflows: challenges and learnings at scale. SC 2021: 10 - 2020
- [j3]Dong H. Ahn, Ned Bass, Albert Chu, Jim Garlick, Mark Grondona, Stephen Herbein, Helgi I. Ingólfsson, Joseph Koning, Tapasya Patki, Thomas R. W. Scogland, Becky Springmeyer, Michela Taufer:
Flux: Overcoming scheduling challenges for exascale workflows. Future Gener. Comput. Syst. 110: 202-213 (2020) - [j2]W. F. Drew Bennett, Stewart He, Camille L. Bilodeau, Derek Jones, Delin Sun, Hyojin Kim, Jonathan E. Allen, Felice C. Lightstone, Helgi I. Ingólfsson:
Predicting Small Molecule Transfer Free Energies by Combining Molecular Dynamics Simulations and Deep Learning. J. Chem. Inf. Model. 60(11): 5375-5381 (2020)
2010 – 2019
- 2019
- [c2]Tapasya Patki, Zachary Frye, Harsh Bhatia, Francesco Di Natale, James N. Glosli, Helgi I. Ingólfsson, Barry Rountree:
Comparing GPU Power and Frequency Capping: A Case Study with the MuMMI Workflow. WORKS@SC 2019: 31-39 - [c1]Francesco Di Natale, Harsh Bhatia, Timothy S. Carpenter, Chris Neale, Sara Kokkila Schumacher, Tomas Oppelstrup, Liam Stanton, Xiaohua Zhang, Shiv Sundram, Thomas R. W. Scogland, Gautham Dharuman, Michael P. Surh, Yue Yang, Claudia Misale, Lars Schneidenbach, Carlos H. A. Costa, Changhoan Kim, Bruce D'Amora, Sandrasegaram Gnanakaran, Dwight V. Nissley, Frederick H. Streitz, Felice C. Lightstone, Peer-Timo Bremer, James N. Glosli, Helgi I. Ingólfsson:
A massively parallel infrastructure for adaptive multiscale simulations: modeling RAS initiation pathway for cancer. SC 2019: 57:1-57:16 - 2016
- [j1]Djurre H. De Jong, Svetlana Baoukina, Helgi I. Ingólfsson, Siewert J. Marrink:
Martini straight: Boosting performance using a shorter cutoff and GPUs. Comput. Phys. Commun. 199: 1-7 (2016)
Coauthor Index
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