1. #COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol. (January 2023) Authors: Dommer, Abigail; Casalino, Lorenzo; Kearns, Fiona; Rosenfeld, Mia; Wauer, Nicholas; Ahn, Surl-Hee; Russo, John; Oliveira, Sofia; Morris, Clare; Bogetti, Anthony; Trifan, Anda; Brace, Alexander; Sztain, Terra; Clyde, Austin; Ma, Heng; Chennubhotla, Chakra; Lee, Hyungro; Turilli, Matteo; Khalid, Sy... Other Names: Parsons Mark guest-editor. Journal: International journal of high performance computing applications Issue: Volume 37:Number 1(2023) Page Start: 28 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A parallel unidirectional coupled DEM-PBM model for the efficient simulation of computationally intensive particulate process systems. (2nd November 2018) Authors: Sampat, Chaitanya; Bettencourt, Franklin; Baranwal, Yukteshwar; Paraskevakos, Ioannis; Chaturbedi, Anik; Karkala, Subhodh; Jha, Shantenu; Ramachandran, Rohit; Ierapetritou, Marianthi Journal: Computers & chemical engineering Issue: Volume 119(2018) Page Start: 128 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Adaptive ensemble simulations of biomolecules. (October 2018) Authors: Kasson, Peter M; Jha, Shantenu Journal: Current opinion in structural biology Issue: Volume 52(2018) Page Start: 87 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Advancing next‐generation sequencing data analytics with scalable distributed infrastructure. (19th June 2013) Authors: Kim, Joohyun; Maddineni, Sharath; Jha, Shantenu; Qiu, Judy; Foster, Ian; Taylor, Ronald; Loidl, Hans‐Wolfgang; Singer, Jeremy Journal: Concurrency and computation Issue: Volume 26:Number 4(2014:Mar.) Page Start: 894 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics. (September 2021) Authors: Casalino, Lorenzo; Dommer, Abigail C; Gaieb, Zied; Barros, Emilia P; Sztain, Terra; Ahn, Surl-Hee; Trifan, Anda; Brace, Alexander; Bogetti, Anthony T; Clyde, Austin; Ma, Heng; Lee, Hyungro; Turilli, Matteo; Khalid, Syma; Chong, Lillian T; Simmerling, Carlos; Hardy, David J; Maia, Julio DC; Philli... Other Names: De Supinski Bronis guest-editor. Journal: International journal of high performance computing applications Issue: Volume 35:Number 5(2021) Page Start: 432 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Co-design Center for Exascale Machine Learning Technologies (ExaLearn). (November 2021) Authors: Alexander, Francis J; Ang, James; Bilbrey, Jenna A; Balewski, Jan; Casey, Tiernan; Chard, Ryan; Choi, Jong; Choudhury, Sutanay; Debusschere, Bert; DeGennaro, Anthony M; Dryden, Nikoli; Ellis, J Austin; Foster, Ian; Cardona, Cristina Garcia; Ghosh, Sayan; Harrington, Peter; Huang, Yunzhi; Jha, Sha... Other Names: Germann Tim guest-editor. Journal: International journal of high performance computing applications Issue: Volume 35:Number 6(2021) Page Start: 598 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Comparative analysis of nucleotide translocation through protein nanopores using steered molecular dynamics and an adaptive biasing force. Issue 9 (9th January 2014) Authors: Martin, Hugh S. C.; Jha, Shantenu; Coveney, Peter V. Journal: Journal of computational chemistry Issue: Volume 35:Issue 9(2014) Page Start: 692 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Comparative analysis of nucleotide translocation through protein nanopores using steered molecular dynamics and an adaptive biasing force. Issue 9 (9th January 2014) Authors: Martin, Hugh S. C.; Jha, Shantenu; Coveney, Peter V. Journal: Journal of computational chemistry Issue: Volume 35:Issue 9(2014) Page Start: 692 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Computational reproducibility of scientific workflows at extreme scales. (September 2019) Authors: Pouchard, Line; Baldwin, Sterling; Elsethagen, Todd; Jha, Shantenu; Raju, Bibi; Stephan, Eric; Tang, Li; Van Dam, Kerstin Kleese Other Names: Mascagni Michael guest-editor. Journal: International journal of high performance computing applications Issue: Volume 33:Number 5(2019) Page Start: 763 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Developing eThread Pipeline Using SAGA-Pilot Abstraction for Large-Scale Structural Bioinformatics. (5th June 2014) Authors: Ragothaman, Anjani; Boddu, Sairam Chowdary; Kim, Nayong; Feinstein, Wei; Brylinski, Michal; Jha, Shantenu; Kim, Joohyun Other Names: D'Agostino Daniele Academic Editor. Journal: BioMed research international Issue: Volume 2014(2014) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗