Journal Club

DatePeopleTitlePaper LinkAuthorPublication YearTopicKey Word
4/16/2025Qianchen Generalized-ensemble algorithms: enhanced sampling techniques for Monte Carlo and molecular dynamics simulationshttps://www.sciencedirect.com/science/article/pii/S1093326303001980Yuko Okamoto2003MD AlgorithmReplica Exchange; Generalized-ensemble
4/16/2025Rangana Generative artificial intelligence for computational chemistry: a roadmap to predicting emergent phenomena https://arxiv.org/abs/2409.03118Pratyush Tiwary2027Generative artificial intelligence AI overview
4/16/2025JokentUnsupervised Learning of Progress Coordinates during Weighted Ensemble Simulations: Application to NTL9 Protein Foldinghttps://pubs.acs.org/doi/full/10.1021/acs.jctc.4c01136Lillian Chong2025Unsupervised Learning for Binless Weighted EnsembleCVAE, Weighted Ensemble