Phase diagram of water–methane by first-principles thermodynamics: discovery of MH-IV and MH-V hydrates

Phase diagrams for clathrate hydrates of methane, ethane, and propane from first-principles thermodynamics

(2016) Xiaoxiao Cao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A new phase diagram of water under negative pressure: The rise of the lowest-density clathrate s-III

(2016) Y. Huang et al.   Science Advances

Formation and properties of ice XVI obtained by emptying a type sII clathrate hydrate

(2014) Andrzej Falenty et al.   NATURE

Crystal structure and encapsulation dynamics of ice II-structured neon hydrate

(2014) X. Yu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Novel Hydrogen Hydrate Structures under Pressure

(2014) Guang-Rui Qian et al.   Scientific Reports

Monte Carlo methods in Materials Studio

(2013) Reinier L.C. Akkermans et al.   MOLECULAR SIMULATION

Ice structures, patterns, and processes: A view across the icefields

(2012) Thorsten Bartels-Rausch et al.   REVIEWS OF MODERN PHYSICS

Theoretical Studies of Host–Guest Interaction in Gas Hydrates

(2011) Pradeep Kumar et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Higher-accuracy van der Waals density functional

(2010) Kyuho Lee et al.   PHYSICAL REVIEW B

Hydrate Risk Management at High Watercuts with Anti-agglomerant Hydrate Inhibitors

(2009) Shuqiang Gao   ENERGY & FUELS

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

High-pressure gas hydrates

(2007) J. S. Loveday et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS