Helgi I. Ingólfsson

Publication Activity (10 Years)

Years Active: 2016-2022
Publications (10 Years): 10

Top Topics

Similarity Metric

Graphics Hardware

Top Venues

Mach. Learn. Sci. Technol.

Publications

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 (2022)
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 (2022)
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) (2022)
Harsh Bhatia, Francesco Di Natale, Joseph Y. Moon, Xiaohua Zhang, Joseph R. Chavez, Fikret Aydin, Chris 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)
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) (2021)
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 (2020)
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) (2020)
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)
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 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)
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 (2016)