Search Results - "Zhang, Daniel T"

Exchanging Replicas with Unequal Cost, Infinitely and Permanently by Roet, Sander, Zhang, Daniel T., van Erp, Titus S.

“…We developed a replica exchange method that is effectively parallelizable even if the computational cost of the Monte Carlo moves in the parallel replicas are…”
Get full text

Highly parallelizable path sampling with minimal rejections using asynchronous replica exchange and infinite swaps by Zhang, Daniel T, Baldauf, Lukas, Roet, Sander, Lervik, Anders, van Erp, Titus S

“…Capturing rare yet pivotal events poses a significant challenge for molecular simulations. Path sampling provides a unique approach to tackle this issue…”
Get full text

Path sampling with memory reduction and replica exchange to reach long permeation timescales by Vervust, Wouter, Zhang, Daniel T., van Erp, Titus S., Ghysels, An

“…Assessing kinetics in biological processes with molecular dynamics simulations remains a computational and conceptual challenge, given the large time and…”
Get full text

PyRETIS 3: Conquering rare and slow events without boundaries by Vervust, Wouter, Zhang, Daniel T, Ghysels, An, Roet, Sander, van Erp, Titus S, Riccardi, Enrico

“…We present and discuss the advancements made in PyRETIS 3, the third instalment of our Python library for an efficient and user-friendly rare event simulation,…”
Get full text

Enhanced path sampling using subtrajectory Monte Carlo moves by Zhang, Daniel T, Riccardi, Enrico, van Erp, Titus S

“…Path sampling allows the study of rare events, such as chemical reactions, nucleation, and protein folding, via a Monte Carlo (MC) exploration in path space…”
Get more information

Enhanced path sampling using subtrajectory Monte Carlo moves by Zhang, Daniel T, Riccardi, Enrico, van Erp, Titus S

“…Path sampling allows the study of rare events like chemical reactions, nucleation and protein folding via a Monte Carlo (MC) exploration in path space. Instead…”
Get full text

Exchanging replicas with unequal cost, infinitely and permanently by Roet, Sander, Zhang, Daniel T, van Erp, Titus S

“…We developed a replica exchange method that is effectively parallelizable even if the computational cost of the Monte Carlo moves in the parallel replicas are…”
Get full text

Online Boosting for Multilabel Ranking with Top-k Feedback by Raman, Vinod, Zhang, Daniel T, Jung, Young Hun, Tewari, Ambuj

“…We present online boosting algorithms for multilabel ranking with top-k feedback, where the learner only receives information about the top k items from the…”
Get full text

Online Multiclass Boosting with Bandit Feedback by Zhang, Daniel T, Jung, Young Hun, Tewari, Ambuj

“…We present online boosting algorithms for multiclass classification with bandit feedback, where the learner only receives feedback about the correctness of its…”
Get full text

A Data Science Approach to Understanding Residential Water Contamination in Flint by Chojnacki, Alex, Dai, Chengyu, Farahi, Arya, Shi, Guangsha, Webb, Jared, Zhang, Daniel T, Abernethy, Jacob, Schwartz, Eric

“…When the residents of Flint learned that lead had contaminated their water system, the local government made water-testing kits available to them free of…”
Get full text