Nanorobotic end-effectors: Design, fabrication, and in situ characterization. - Zheng Fan; Miao Yu; Gautham Dharuman; Xudong Fan; Lixin Dong (NEMS, 2014)

A massively parallel infrastructure for adaptive multiscale simulations: modeling RAS initiation pathway for cancer. - 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; et al. (SC, 2019)

Machine-learning-based dynamic-importance sampling for adaptive multiscale simulations. - Harsh Bhatia; Timothy S. Carpenter; Helgi I. Ingólfsson; Gautham Dharuman; Piyush Karande; Shusen Liu 001; Tomas Oppelstrup; Chris Neale; Felice C. Lightstone; Brian Van Essen; James N. Glosli; Peer-Timo Bremer (Nat. Mach. Intell., 2021)

Identifying Orientation-specific Lipid-protein Fingerprints using Deep Learning. - Fikret Aydin; Konstantia Georgouli; Gautham Dharuman; James N. Glosli; Felice C. Lightstone; Helgi I. Ingólfsson; Peer-Timo Bremer; Harsh Bhatia (CoRR, 2022)

Sarkas: A fast pure-python molecular dynamics suite for plasma physics. - Luciano G. Silvestri; Lucas J. Stanek; Gautham Dharuman; Yongjun Choi; Michael S. Murillo (Comput. Phys. Commun., 2022)

Protein Generation via Genome-scale Language Models with Bio-physical Scoring. - Gautham Dharuman; Arvind Ramanathan (SC Workshops, 2023)

MProt-DPO: Breaking the ExaFLOPS Barrier for Multimodal Protein Design Workflows with Direct Preference Optimization. - Gautham Dharuman; Kyle Hippe; Alexander Brace; Sam Foreman; Väinö Hatanpää; Varuni Katti Sastry; Huihuo Zheng; Logan T. Ward; Servesh Muralidharan; Archit Vasan; Bharat Kale; Carla M. Mann; et al. (SC, 2024)