Niall J English (N J English)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 37

Top Topics

Room Temperature

Molecular Dynamics

Top Venues

International journal of molecular sciences

The journal of physical chemistry letters

The journal of physical chemistry. C, Nanomaterials and interfaces

The journal of physical chemistry. B

This page only lists publications with an associated author ORCID identifier.

Publications

Mary T Ajide, Niall J English
Nonequilibrium Ab Initio Molecular Dynamics Simulation of Water Splitting at Fe 2 O 3 -Hematite/Water Interfaces in an External Electric Field. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (50) (2023)
Mary T Ajide, Niall J English
Nonequilibrium Ab Initio Molecular Dynamics Simulation of Water Splitting at Fe 2 O 3 -Hematite/Water Interfaces in an External Electric Field. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (50) (2023)
Jai Krishna Sahith Sayani, Niall J English, Muhammad Saad Khan, Bhajan Lal, Venkateswara Rao Kamireddi
Estimation of Thermodynamic Stability of Methane and Carbon Dioxide Hydrates in the Presence of Hydrogen Sulfide. ACS omega 8 (7) (2023)
Jai Krishna Sahith Sayani, Niall J English, Muhammad Saad Khan, Bhajan Lal, Venkateswara Rao Kamireddi
Estimation of Thermodynamic Stability of Methane and Carbon Dioxide Hydrates in the Presence of Hydrogen Sulfide. ACS omega 8 (7) (2023)
HaoLun Wu, Mohammad Reza Ghaani, Zdeněk Futera, Niall J English
Effects of Externally Applied Electric Fields on the Manipulation of Solvated-Chignolin Folding: Static- versus Alternating-Field Dichotomy at Play. The journal of physical chemistry. B 126 (2) (2022)
Yogeshwaran Krishnan, Patricia Gomez Rosingana, Mohammad Reza Ghaani, Niall J English
Controlling hydrogen release from remaining-intact Clathrate hydrates by electromagnetic fields: molecular engineering via microsecond non-equilibrium molecular dynamics. RSC advances 12 (7) (2022)
José Angel Martinez-Gonzalez, Prithwish K Nandi, Niall J English, Aoife A Gowen
Vibrational Analysis of Hydration-Layer Water around Ubiquitin, Unpeeled Layer by Layer: Molecular-Dynamics Perceptions. International journal of molecular sciences 23 (24) (2022)
José Angel Martinez-Gonzalez, Prithwish K Nandi, Niall J English, Aoife A Gowen
Vibrational Analysis of Hydration-Layer Water around Ubiquitin, Unpeeled Layer by Layer: Molecular-Dynamics Perceptions. International journal of molecular sciences 23 (24) (2022)
José Angel Martinez-Gonzalez, Prithwish K Nandi, Niall J English, Aoife A Gowen
Vibrational Analysis of Hydration-Layer Water around Ubiquitin, Unpeeled Layer by Layer: Molecular-Dynamics Perceptions. International journal of molecular sciences 23 (24) (2022)
HaoLun Wu, Mohammad Reza Ghaani, Prithwish K Nandi, Niall J English
Investigation of Dipolar Response of the Hydrated Hen-Egg White Lysozyme Complex under Externally Applied Electric Fields: Insights from Non-equilibrium Molecular Dynamics. The journal of physical chemistry. B 126 (4) (2022)
Marco Lauricella, Mohammad Reza Ghaani, Prithwish K Nandi, Simone Meloni, Bjorn Kvamme, Niall J English
Double Life of Methanol: Experimental Studies and Nonequilibrium Molecular-Dynamics Simulation of Methanol Effects on Methane-Hydrate Nucleation. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (13) (2022)
José Angel Martinez-Gonzalez, Prithwish K Nandi, Niall J English, Aoife A Gowen
Vibrational Analysis of Hydration-Layer Water around Ubiquitin, Unpeeled Layer by Layer: Molecular-Dynamics Perceptions. International journal of molecular sciences 23 (24) (2022)
José Angel Martinez-Gonzalez, Prithwish K Nandi, Niall J English, Aoife A Gowen
Vibrational Analysis of Hydration-Layer Water around Ubiquitin, Unpeeled Layer by Layer: Molecular-Dynamics Perceptions. International journal of molecular sciences 23 (24) (2022)
Zdeněk Futera, Niall J English
Dielectric properties of ice VII under the influence of time-alternating external electric fields. Physical chemistry chemical physics : PCCP (2021)
Zdeněk Futera, Niall J English
Water Breakup at Fe2O3-Hematite/Water Interfaces: Influence of External Electric Fields from Nonequilibrium Ab Initio Molecular Dynamics. The journal of physical chemistry letters 12 (29) (2021)
Banchhanidhi Prusti, Pralok K Samanta, Niall J English, Manab Chakravarty
A C3-symmetric twisted organic salt as an efficient mechano-/thermo-responsive molecule: a reusable and sensitive fluorescent thermometer. Chemical communications (Cambridge, England) 57 (92) (2021)
Leila Keshavarz, Mohammad Reza Ghaani, Niall J English
The Importance of Precursors and Modification Groups of Aerogels in CO2 Capture. Molecules (Basel, Switzerland) 26 (16) (2021)
Rui Ma, Feng Wang, Yuanhao Chang, Senbo Xiao, Niall J English, Jianying He, Zhiliang Zhang
Unraveling Adhesion Strength between Gas Hydrate and Solid Surfaces. Langmuir : the ACS journal of surfaces and colloids 37 (47) (2021)
Yogeshwaran Krishnan, Mohammad Reza Ghaani, Niall J English
Hydrogen and Deuterium Molecular Escape from Clathrate Hydrates: "Leaky" Microsecond-Molecular-Dynamics Predictions. The journal of physical chemistry. C, Nanomaterials and interfaces 125 (15) (2021)
Mohammad Reza Ghaani, Michele Catti, Niall J English
In Situ Synchrotron X-ray Diffraction Studies of Hydrogen-Desorption Properties of 2LiBH4-Mg2FeH6 Composite. Molecules (Basel, Switzerland) 26 (16) (2021)
Mohammad Reza Ghaani, Christopher C R Allen, Timofey Skvortsov, Niall J English
Engineering Peptides to Catalyze and Control Stabilization of Gas Hydrates: Learning From Nature. The journal of physical chemistry letters 11 (13) (2020)
Zdeněk Futera, John S Tse, Niall J English
Possibility of realizing superionic ice VII in external electric fields of planetary bodies. Science advances 6 (21) (2020)
Mohammad Reza Ghaani, Peter G Kusalik, Niall J English
Massive generation of metastable bulk nanobubbles in water by external electric fields. Science advances 6 (14) (2020)
Mohammad Reza Ghaani, Niall J English, Christopher C R Allen
Magnetic-Field Manipulation of Naturally Occurring Microbial Chiral Peptides to Regulate Gas-Hydrate Formation. The journal of physical chemistry letters 11 (21) (2020)
Dolores Melgar, Marco Lauricella, Gareth S O'Brien, Niall J English
Amplitude effects on seismic velocities: How low can we go? The Journal of chemical physics 150 (8) (2019)
Aaron Byrne, Eduardo M Bringa, Mario G Del Pópolo, Jorge J Kohanoff, Vanesa Galassi, Niall J English
Mechanisms of Iodide⁻Triiodide Exchange Reactions in Ionic Liquids: A Reactive Molecular-Dynamics Exploration. International journal of molecular sciences 20 (5) (2019)
M Gnanaprakasam, G Saranya, S Bandaru, Niall J English, Senthilkumar Kittusamy
Atmospheric oxidation mechanism and kinetics of 2-bromo-4,6-dinitroaniline by OH radicals - a theoretical study. Physical chemistry chemical physics : PCCP 21 (37) (2019)
José Antonio Garate, Alejandro Bernardin, Yerko Escalona, Carlos Yanez, Niall J English, Tomas Perez-Acle
Orientational and Folding Thermodynamics via Electric Dipole Moment Restraining. The journal of physical chemistry. B 123 (12) (2019)
Raimundas Sereika, Changyong Park, Curtis Kenney-Benson, Sateesh Bandaru, Niall J English, Qiangwei Yin, He-Chang Lei, Ning Chen, Cheng-Jun Sun, Steve M Heald, Jichang Ren, Jun Chang, Yang Ding, Ho-Kwang Mao
Novel Superstructure-Phase Two-Dimensional Material 1T-VSe2 at High Pressure. The journal of physical chemistry letters 11 (2) (2019)
Mario Bernardi, Paolo Marracino, Mohammad Reza Ghaani, Micaela Liberti, Federico Del Signore, Christian J Burnham, José-Antonio Gárate, Francesca Apollonio, Niall J English
Human aquaporin 4 gating dynamics under axially oriented electric-field impulses: A non-equilibrium molecular-dynamics study. The Journal of chemical physics 149 (24) (2019)
Christian J Burnham, Niall J English
A New Relatively Simple Approach to Multipole Interactions in Either Spherical Harmonics or Cartesians, Suitable for Implementation into Ewald Sums. International journal of molecular sciences 21 (1) (2019)
Christian J Burnham, Niall J English
Crystal Structure Prediction via Basin-Hopping Global Optimization Employing Tiny Periodic Simulation Cells, with Application to Water-Ice. Journal of chemical theory and computation 15 (6) (2019)
Dolores Melgar, Mohammad Reza Ghaani, Marco Lauricella, Gareth S O'Brien, Niall J English
Acoustic-propagation properties of methane clathrate hydrates from non-equilibrium molecular dynamics. The Journal of chemical physics 151 (14) (2019)
Qiang Guo, Mohammad Reza Ghaani, Prithwish K Nandi, Niall J English
Pressure-Induced Densification of Ice Ih under Triaxial Mechanical Compression: Dissociation versus Retention of Crystallinity for Intermediate States in Atomistic and Coarse-Grained Water Models. The journal of physical chemistry letters 9 (18) (2018)
Kyle Wm Hall, Zhengcai Zhang, Christian J Burnham, Guang-Jun Guo, Sheelagh Carpendale, Niall J English, Peter G Kusalik
Does Local Structure Bias How a Crystal Nucleus Evolves? The journal of physical chemistry letters 9 (24) (2018)
Prithwish K Nandi, Christian J Burnham, Niall J English
Electro-nucleation of water nano-droplets in No Man's Land to fault-free ice Ic. Physical chemistry chemical physics : PCCP 20 (12) (2018)
Joás Grossi, Jorge J Kohanoff, Niall J English, Eduardo M Bringa, Mario G Del Pópolo
On the Mechanism of the Iodide-Triiodide Exchange Reaction in a Solid-State Ionic Liquid. The journal of physical chemistry. B 121 (26) (2017)