Skip to Main Content
Skip Nav Destination

Enhanced Sampling for Molecular Systems

This special topic highlights recent developments in enhanced sampling methods for molecular-level simulations of chemical and biological systems. These methods are designed to enable more efficient exploration of phase space and extend the time scales that can be explored by simulations. We hope this collection of articles will provide readers with an up-to-date snapshot of some of the most important methods used to address sampling in a broad spectrum of molecular systems.

Guest Editors: Alessandro Laio, Athanassios Z. Panagiotopoulos, and Daniel M. Zuckerman

Ritabrata Dutta; Zacharias Faidon Brotzakis; Antonietta Mira
10.1063/1.5030950
Hiroshi Fujisaki; Kei Moritsugu; Ayori Mitsutake; Hiromichi Suetani
10.1063/1.5049420
Ilaria Gimondi; Gareth A. Tribello; Matteo Salvalaglio
10.1063/1.5027528
Gianmarc Grazioli; Ioan Andricioaei
10.1063/1.5037482
Gianmarc Grazioli; Ioan Andricioaei
10.1063/1.5029954
Vinícius Wilian D. Cruzeiro; Marcos S. Amaral; Adrian E. Roitberg
10.1063/1.5027379
Wei Wang; Tong Liang; Fu Kit Sheong; Xiaodan Fan; Xuhui Huang
10.1063/1.5027001
Alessandro Laio; Athanassios Z. Panagiotopoulos; Daniel M. Zuckerman
10.1063/1.5049669
G. Bartolucci; S. Orioli; P. Faccioli
10.1063/1.5027253
Luca Donati; Bettina G. Keller
10.1063/1.5027728
Cyril Falvo; Antonio Gamboa-Suárez; Samuel Cazayus-Claverie; Pascal Parneix; Florent Calvo
10.1063/1.5026688
Hongsuk Kang; Binquan Luan; Ruhong Zhou
10.1063/1.5029369
Shingo Ito; Ying Wang; Yuko Okamoto; Stephan Irle
10.1063/1.5026956
Robert F. DeJaco; Bahman Elyassi; Matheus Dorneles de Mello; Nitish Mittal; Michael Tsapatsis; J. Ilja Siepmann
10.1063/1.5026937
Surl-Hee Ahn; Jay W. Grate; Eric F. Darve
10.1063/1.5024552
Kenichiro Saita; Makito Takagi; Yu Harabuchi; Haruki Okada; Satoshi Maeda
10.1063/1.5025023
Natacha Gillet; Marcus Elstner; Tomáš Kubař
10.1063/1.5027100
Philipp Pedevilla; Martin Fitzner; Gabriele C. Sosso; Angelos Michaelides
10.1063/1.5029336
Nicholas E. Jackson; Michael A. Webb; Juan J. de Pablo
10.1063/1.5030531
Arman Fathizadeh; Ron Elber
10.1063/1.5027078
Close Modal

or Create an Account

Close Modal
Close Modal