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Nanoscale|May 20, 2014
Design principles for Bernal spirals and helices with tunable pitchSzilard N Fejer, Dwaipayan Chakrabarti, Halim Kusumaatmaja, et al.
QRB Discovery|September 29, 2023
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensityNicy, Rosana Collepardo-Guevara, Jerelle A Joseph, et al.
The Journal of Chemical Physics|December 21, 2006
Thermodynamics of water octamer in a uniform electric fieldJavier Hernández-Rojas, Briesta S González, Tim James, et al.
Physical Chemistry Chemical Physics : PCCP|October 15, 2025
Vibrational energy landscapes and energy flow in GPCRs: comparison between class A and class B GPCRs using all atom and coarse-grained modelsHumanath Poudel, Pathick Halder Shaon, David J Wales, et al.
The Journal of Chemical Physics|October 9, 2020
Rare events and first passage time statistics from the energy landscapeThomas D Swinburne, Deepti Kannan, Daniel J Sharpe, et al.
ACS Nano|January 26, 2013
Designing a Bernal spiral from patchy colloidsJohn W R Morgan, Dwaipayan Chakrabarti, Nicolas Dorsaz, et al.
The Journal of Chemical Physics|April 3, 2016
Energy landscapes for a machine learning application to series dataAndrew J Ballard, Jacob D Stevenson, Ritankar Das, et al.
The Journal of Chemical Physics|December 31, 2020
Optimal dimensionality reduction of Markov chains using graph transformationDeepti Kannan, Daniel J Sharpe, Thomas D Swinburne, et al.
The Journal of Chemical Physics|May 24, 2015
Exploring the potential energy landscape of the Thomson problem via Newton homotopiesDhagash Mehta, Tianran Chen, John W R Morgan, et al.
Journal of Chemical Theory and Computation|June 10, 2024
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported NanoclustersBenjamin X Shi, David J Wales, Angelos Michaelides, et al.
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