| 2020 | ICLR | Strategies for Pre-training Graph Neural Networks. | Weihua Hu, Bowen Liu, Joseph Gomes, Marinka Zitnik, Percy Liang, Vijay S. Pande, Jure Leskovec |
| 2014 | ICML | Understanding Protein Dynamics with L1-Regularized Reversible Hidden Markov Models. | Robert McGibbon, Bharath Ramsundar, Mohammad Sultan, Gert Kiss, Vijay S. Pande |
| 2011 | SC | Copernicus: a new paradigm for parallel adaptive molecular dynamics. | Sander Pronk, Per Larsson, Iman Pouya, Gregory R. Bowman, Imran S. Haque, Kyle Beauchamp, Berk Hess, Vijay S. Pande, Peter M. Kasson, Erik Lindahl |
| 2010 | CCGRID | Hard Data on Soft Errors: A Large-Scale Assessment of Real-World Error Rates in GPGPU. | Imran S. Haque, Vijay S. Pande |
| 2010 | PSB | Constructing Multi-Resolution Markov State Models (MSMs) to Elucidate RNA Hairpin Folding Mechanisms. | Xuhui Huang, Yuan Yao, Gregory R. Bowman, Jian Sun, Leonidas J. Guibas, Gunnar E. Carlsson, Vijay S. Pande |
| 2010 | PSB | Multiscale Dynamics of Macromolecules Using Normal Mode Langevin. | Jess A. Izaguirre, Christopher R. Sweet, Vijay S. Pande |
| 2010 | PSB | Cross-Graining: Efficient Multi-Scale Simulation via Markov State Models. | Peter M. Kasson, Vijay S. Pande |
| 2009 | PSB | Combining Mutual Information with Structural Analysis to Screen for Functionally Important Residues in Influenza Hemagglutinin. | Peter M. Kasson, Vijay S. Pande |
| 2009 | PSB | A Multiscale Approach to Sampling Nascent Peptide Chains in the Ribosomal Exit Tunnel. | Vincent A. Voelz, Paula Petrone, Vijay S. Pande |
| 2007 | PSB | Predicting Structure and Dynamics of Loosely-Ordered Protein Complexes: Influenza Hemagglutinin Fusion Peptide. | Peter M. Kasson, Vijay S. Pande |
| 2006 | SC | Poster reception - N-Body simulation on GPUs. | Erich Elsen, Mike Houston, Vaidyanathan Vishal, Eric Darve, Pat Hanrahan, Vijay S. Pande |