Author of the publication

Umbrella sampling

. Wiley Interdisciplinary Reviews: Computational Molecular Science, 1 (6): 932--942 (November 2011)
DOI: 10.1002/wcms.66

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Instanton rate constant calculations close to and above the crossover temperature., and . J. Comput. Chem., 38 (30): 2570-2580 (2017)A New Tabu-Search-Based Algorithm for Solvation of Proteins, , , and . Journal of Chemical Theory and Computation, 9 (1): 814--821 (December 2012)Instanton rate constant calculations using interpolated potential energy surfaces in nonredundant, rotationally and translationally invariant coordinates., and . J. Comput. Chem., 40 (7): 866-874 (2019)Strategies for the construction of machine-learning potentials for accurate and efficient atomic-scale simulations., , , , and . Mach. Learn. Sci. Technol., 2 (3): 31001 (September 2021)ZnTrack - Data as Code., , , , and . CoRR, (2024)Umbrella sampling. Wiley Interdisciplinary Reviews: Computational Molecular Science, 1 (6): 932--942 (November 2011)Kinetic isotope effects calculated with the instanton method., , and . J. Comput. Chem., 32 (16): 3456-3463 (2011)A Framework and Benchmark for Deep Batch Active Learning for Regression., , , and . CoRR, (2022)A Framework and Benchmark for Deep Batch Active Learning for Regression., , , and . J. Mach. Learn. Res., (2023)Exploration of transferable and uniformly accurate neural network interatomic potentials using optimal experimental design., and . Mach. Learn. Sci. Technol., 2 (3): 35009 (2021)