Standout Papers
Citation Impact
Citing Papers
Shape‐Memory Effect Enabled by Ligand Substitution and CO2 Affinity in a Flexible SIFSIX Coordination Network
2023 StandoutNobel
Self-assembly of metal–organic polyhedra into supramolecular polymers with intrinsic microporosity
2018 StandoutNobel
Microenvironmental modulation breaks intrinsic pH limitations of nanozymes to boost their activities
2024 StandoutNobel
Soft corrugated channel with synergistic exclusive discrimination gating for CO2 recognition in gas mixture
2023 StandoutNobel
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
2021 Standout
Pressure promoted low-temperature melting of metal–organic frameworks
2019
Carbon dioxide capture from open air using covalent organic frameworks
2024 StandoutNatureNobel
In-situ formation of one-dimensional coordination polymers in molecular junctions
2019 StandoutNobel
Lithium and sodium battery cathode materials: computational insights into voltage, diffusion and nanostructural properties
2013
Universal Non-Debye Scaling in the Density of States of Amorphous Solids
2016 StandoutNobel
Soft Modes, Localization, and Two-Level Systems in Spin Glasses
2015 StandoutNobel
Hydrophobic mismatch drives self-organization of designer proteins into synthetic membranes
2024 StandoutNobel
Effects of coordination and pressure on sound attenuation, boson peak and elasticity in amorphous solids
2014
Structural disorder in molecular framework materials
2013
Structure and Properties of an Amorphous Metal-Organic Framework
2010
Jamming Criticality Revealed by Removing Localized Buckling Excitations
2015 StandoutNobel
Machine learning for molecular and materials science
2018 StandoutNature
Insight from molecular modelling: does the polymer side chain length matter for transport properties of perfluorosulfonic acid membranes?
2012
Universal Microstructure and Mechanical Stability of Jammed Packings
2012 StandoutNobel
Functional materials discovery using energy–structure–function maps
2017 Nature
Two Different Models to Predict Ionic‐Liquid Diffraction Patterns: Fixed‐Charge versus Polarizable Potentials
2014
Local Polar Fluctuations in Lead Halide Perovskite Crystals
2017 StandoutNobel
Effects of compression on the vibrational modes of marginally jammed solids
2005
Observation of the Onset of Strong Scattering on High Frequency Acoustic Phonons in Densified Silica Glass
2003
Exploring the potential energy landscape of glass-forming systems: from inherent structures via metabasins to macroscopic transport
2008
Long-Range Anomalous Decay of the Correlation in Jammed Packings
2021 StandoutNobel
“Heterogeneity within Order” in Metal–Organic Frameworks
2015 StandoutNobel
Detailed characterization of rattlers in exactly isostatic, strictly jammed sphere packings
2013
Vibrations and Diverging Length Scales Near the Unjamming Transition
2005
Low-Frequency Vibrations of Soft Colloidal Glasses
2010
The development of molecule-based porous material families and their future prospects
2022 StandoutNobel
Fractal free energy landscapes in structural glasses
2014 StandoutNobel
Calorimetric glass transition in a mean-field theory approach
2015 StandoutNobel
Pressure-Induced Hydration and Order−Disorder Transition in a Synthetic Potassium Gallosilicate Zeolite with Gismondine Topology
2008 StandoutNobel
Atomistic Simulation of Nafion Membrane: I. Effect of Hydration on Membrane Nanostructure
2007
Temperature Evolution of Methylammonium Trihalide Vibrations at the Atomic Scale
2016
Probing the non-Debye low-frequency excitations in glasses through random pinning
2018 StandoutNobel
MCCCS Towhee: a tool for Monte Carlo molecular simulation
2013
Theory of the jamming transition at finite temperature
2015
Structure and Nanostructure in Ionic Liquids
2015 Standout
Competing Forces in the Self-Assembly of Coupled ZnO Nanopyramids
2015
Reverse Monte Carlo studies of nanoporous carbon from TiC
2005
Computer Simulation of Liquids
2017 Standout
Recent Advances in Liquid‐Like Thermoelectric Materials
2019
High-performance thermoelectric Cu2Se nanoplates through nanostructure engineering
2015
Structural evolution of zeolite levyne under hydrostatic and non-hydrostatic pressure: geometric modelling
2006
Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4–Li3PO4 Solid Electrolytes
2015
New Insights into Perfluorinated Sulfonic-Acid Ionomers
2017 Standout
RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials
2015 Standout
Methylammonium Rotational Dynamics in Lead Halide Perovskite by Classical Molecular Dynamics: The Role of Temperature
2015
Mean-field theory of hard sphere glasses and jamming
2010 StandoutNobel
Cu-based thermoelectric materials
2016
Glass Formation of a Coordination Polymer Crystal for Enhanced Proton Conductivity and Material Flexibility
2016 StandoutNobel
Negative thermal expansion
2005
Conformational isomerisms and nano-aggregation in substituted alkylammonium nitrates ionic liquids: An x-ray and computational study of 2-methoxyethylammonium nitrate
2013
Heterogeneous dynamics, marginal stability and soft modes in hard sphere glasses
2007
Bright Side of Lignin Depolymerization: Toward New Platform Chemicals
2018 Standout
Carbothermal shock synthesis of high-entropy-alloy nanoparticles
2018 StandoutScience
Advanced Thermoelectric Design: From Materials and Structures to Devices
2020 Standout
Ion-dependent protein–surface interactions from intrinsic solvent response
2021 StandoutNobel
Water Stability and Adsorption in Metal–Organic Frameworks
2014 Standout
MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations
2016
IBIsCO: A molecular dynamics simulation package for coarse‐grained simulation
2011
Calorimetric glass transition explained by hierarchical dynamic facilitation
2013
Universal spectrum of normal modes in low-temperature glasses
2015 StandoutNobel
Reversible Solid-to-Liquid Phase Transition of Coordination Polymer Crystals
2014 StandoutNobel
Molecular-Level Characterization of the Breathing Behavior of the Jungle-Gym-type DMOF-1 Metal–Organic Framework
2012
The origin of uniaxial negative thermal expansion in layered perovskites
2017
High-frequency acoustic modes in an ionic liquid
2013
Molecular scale simulations on thermoset polymers: A review
2014
Fine Pore‐Structure Engineering by Ligand Conformational Control of Naphthalene Diimide‐Based Semiconducting Porous Coordination Polymers for Efficient Chemiresistive Gas Sensing
2022 StandoutNobel
Brillouin and boson peaks in glasses from vector Euclidean random matrix theory
2003 StandoutNobel
On the rigidity of amorphous solids
2005
Delicate Softness in a Temperature-Responsive Porous Crystal for Accelerated Sieving of Propylene/Propane
2023 StandoutNobel
Gismondine under HP: Deformation mechanism and re-organization of the extra-framework species
2007
Carbon Dioxide Capture Chemistry of Amino Acid Functionalized Metal–Organic Frameworks in Humid Flue Gas
2022 StandoutNobel
Large Cages of Zeolitic Imidazolate Frameworks
2022 StandoutNobel
Chemical Stability of (Ag,Cu)2Se: a Historical Overview
2013
Anomalous Increase in Carbon Capacitance at Pore Sizes Less Than 1 Nanometer
2006 StandoutScience
Thermoelectric properties of copper selenide with ordered selenium layer and disordered copper layer
2012
Geometric origin of excess low-frequency vibrational modes in weakly connected amorphous solids
2005
Structures of Metal–Organic Frameworks with Rod Secondary Building Units
2016 StandoutNobel
The effects of electronic polarization on water adsorption in metal-organic frameworks: H2O in MIL-53(Cr)
2012
The Interpretation of Diffraction Patterns of Two Prototypical Protic Ionic Liquids: a Challenging Task for Classical Molecular Dynamics Simulations
2012
Ab Initio Molecular Dynamics Simulation of Proton Hopping in a Model Polymer Membrane
2013
Rationally Designing High-Performance Bulk Thermoelectric Materials
2016 Standout
Rational design of mixed-matrix metal-organic framework membranes for molecular separations
2022 Science
Oxidation and Surface Segregation Behavior of a Pt–Pd–Rh Alloy Catalyst
2014
Inorganic Solid-State Electrolytes for Lithium Batteries: Mechanisms and Properties Governing Ion Conduction
2015 Standout
A scalable metal-organic framework as a durable physisorbent for carbon dioxide capture
2021 Science
Diffusons, locons and propagons: Character of atomic vibrations in amorphous Si
1999
Nanoporous Transparent MOF Glasses with Accessible Internal Surface
2016 StandoutNobel
Water Adsorption in Porous Metal–Organic Frameworks and Related Materials
2014 StandoutNobel
The Jamming Transition and the Marginally Jammed Solid
2010
Impact of jamming criticality on low-temperature anomalies in structural glasses
2019 StandoutNobel
Inorganic glasses, glass-forming liquids and amorphizing solids
2007
A New Dimension for Coordination Polymers and Metal–Organic Frameworks: Towards Functional Glasses and Liquids
2019 StandoutNobel
Controlled Assembly and Anomalous Thermal Expansion of Ultrathin Cesium Lead Bromide Nanoplatelets
2023 StandoutNobel
Thermodynamics at Solid–Liquid Interfaces
2018
Reversible Switching between Highly Porous and Nonporous Phases of an Interpenetrated Diamondoid Coordination Network That Exhibits Gate‐Opening at Methane Storage Pressures
2018 StandoutNobel
Screening of Ion–Graphene Electrode Interactions by Ionic Liquids: The Effects of Liquid Structure
2014
Self-Assembly of Colloidal Nanocrystals: From Intricate Structures to Functional Materials
2016 Standout
Scaling of phononic transport with connectivity in amorphous solids
2010
On the inner workings of Monte Carlo codes
2013
Na3MnZr(PO4)3: A High-Voltage Cathode for Sodium Batteries
2018 StandoutNobel
Structure of Geminal Imidazolium Bis(trifluoromethylsulfonyl)imide Dicationic Ionic Liquids: A Theoretical Study of the Liquid Phase
2011
GOLLUM: a next-generation simulation tool for electron, thermal and spin transport
2014
Works of Kostya Trachenko being referenced
Network Rigidity and Properties ofS i O 2 G e O 2
2004
Refinement of the Si–O–Si bond angle distribution in vitreous silica
2005
Origin of theT 1 + α
2002
Liquid heat capacity in the approach from the solid state: Anharmonic theory
2011
DL_POLY_3: new dimensions in molecular dynamics simulations via massive parallelism
2006 Standout
Heat capacity at the glass transition
2011
Heat capacity of liquids: An approach from the solid phase
2008
Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2
2000
Real-space rigid-unit-mode analysis of dynamic disorder in quartz, cristobalite and amorphous silica
2002
Tunneling and interaction effects in two-level systems in glasses studied by atomistic simulations
2006
Dynamics of silica glass: two-level tunnelling states and low-energy floppy modes
2000
Floppy modes in silica glass under pressure
2002
Amorphous silica from the Rigid Unit Mode approach
2000
Rigid Unit Modes in Framework Structures: Theory, Experiment and Applications
2000
Low Energy Dynamics and Tunneling States in Silica Glass
1998