Citation Impact
Citing Papers
A Porous Crystalline Nitrone‐Linked Covalent Organic Framework**
2023 StandoutNobel
Lithium anode stable in air for low-cost fabrication of a dendrite-free lithium battery
2019 StandoutNobel
Graphene-based composites
2011 Standout
GROMACS: Fast, flexible, and free
2005 Standout
Atomic packing and short-to-medium-range order in metallic glasses
2006 StandoutNature
Graphene: An Emerging Electronic Material
2012
From quantum matter to high-temperature superconductivity in copper oxides
2015 StandoutNature
Folding of a model three-helix bundle protein: a thermodynamic and kinetic analysis 1 1Edited by A. R. Fersht
1999 StandoutNobel
The Amber biomolecular simulation programs
2005 Standout
Modelling heterogeneous interfaces for solar water splitting
2017
Thermal properties of graphene and nanostructured carbon materials
2011 Standout
Scalable molecular dynamics with NAMD
2005 Standout
Efficient computation of three-dimensional protein structures in solution from nuclear magnetic resonance data using the program DIANA and the supporting programs CALIBA, HABAS and GLOMSA
1991 StandoutNobel
Uniquantal Release through a Dynamic Fusion Pore Is a Candidate Mechanism of Hair Cell Exocytosis
2014 StandoutNobel
On the origin of the electrostatic barrier for proton transport in aquaporin
2004 StandoutNobel
Protein–Protein Docking with Simultaneous Optimization of Rigid-body Displacement and Side-chain Conformations
2003 StandoutNobel
Torsion angle dynamics for NMR structure calculation with the new program Dyana
1997 StandoutNobel
Competing States in thet J d
2014
Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional
2017
The surface constraint all atom model provides size independent results in calculations of hydration free energies
1998 StandoutNobel
Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology
2004 Standout
Computer Simulation of Liquids
2017 Standout
Femtosecond reaction dynamics in the gas-to-liquid transition region: Observation of a three-phase density dependence
1996 StandoutNobel
Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models
2000 Standout
CHARMM‐GUI: A web‐based graphical user interface for CHARMM
2008 Standout
Tailored Porous Materials
1999 StandoutNobel
Keeping the shape but changing the charges: A simulation study of urea and its iso-steric analogs
1996 StandoutNobel
Atomistic simulations of structural and thermodynamic properties of bilayer graphene
2010
Mechanism of thermal conductivity reduction in few-layer graphene
2011
First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and Applications
2017
Particulate Photocatalysts for Light-Driven Water Splitting: Mechanisms, Challenges, and Design Strategies
2019 Standout
A Combined Experimental–Computational Investigation of Methane Adsorption and Selectivity in a Series of Isoreticular Zeolitic Imidazolate Frameworks
2013 StandoutNobel
Reversible multiple time scale molecular dynamics
1992 Standout
Computational Modeling and Simulation of CO2Capture by Aqueous Amines
2017
A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions
2000 Standout
Constant pressure molecular dynamics simulation: The Langevin piston method
1995 Standout
Sustainable Conversion of Carbon Dioxide: An Integrated Review of Catalysis and Life Cycle Assessment
2017 Standout
How Hydrophobic Buckminsterfullerene Affects Surrounding Water Structure
2008 StandoutNobel
WIEN2k: An APW+lo program for calculating the properties of solids
2020 Standout
Antiferromagnetic spintronics
2018 Standout
The surface and structural properties of graphite fluoride
2015
Detailed Hydration Maps of Benzene and Cyclohexane Reveal Distinct Water Structures
2004 StandoutNobel
Constant pressure molecular dynamics algorithms
1994 Standout
Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation
1997 Standout
Hydrogen-bond kinetics in liquid water
1996 StandoutNature
Size-controllable synthesis of ultrasmall diamonds from halogenated adamantanes at high static pressure
2019 StandoutNobel
Canonical sampling through velocity rescaling
2007 Standout
Rungs 1 to 4 of DFT Jacob’s ladder: Extensive test on the lattice constant, bulk modulus, and cohesive energy of solids
2016
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
2024 Standout
Adsorption of Aromatic and Anti-Aromatic Systems on Graphene through π−π Stacking
2010
A common thread: The pairing interaction for unconventional superconductors
2012
Computational Screening of 2D Materials for Photocatalysis
2015
Strong electronic correlation in the hydrogen chain: A variational Monte Carlo study
2011
A reactive potential for hydrocarbons with intermolecular interactions
2000 Standout
The SIESTA method forab initioorder-Nmaterials simulation
2002 Standout
Size, Dimensionality, and Strong Electron Correlation in Nanoscience
2014 StandoutNobel
Quantum Mechanical Continuum Solvation Models
2005 Standout
Fast Parallel Algorithms for Short-Range Molecular Dynamics
1995 Standout
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
2004 Standout
Nanostructured Materials for Room‐Temperature Gas Sensors
2015 Standout
High‐Pressure Synthesis of Nanodiamonds from Adamantane: Myth or Reality?
2017 StandoutNobel
Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution
1997 StandoutNobel
COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds
1998 Standout
Simulating the Effect of DNA Polymerase Mutations on Transition-State Energetics and Fidelity: Evaluating Amino Acid Group Contribution and Allosteric Coupling for Ionized Residues in Human Pol β
2006 StandoutNobel
A smooth particle mesh Ewald method
1995 Standout
Works of Leonardo Spanu being referenced
Nature and Strength of Interlayer Binding in Graphite
2009
Magnetism and superconductivity in thet − t ′ − J
2008
Ab initiocalculations for theβ
2011
Electronic Structure of Aqueous Sulfuric Acid from First-Principles Simulations with Hybrid Functionals
2014
Finite compressibility in the low-doping region of the two-dimensionalt − J
2006
Stability of hydrocarbons at deep Earth pressures and temperatures
2011
Resonating-valence-bond ground state of lithium nanoclusters
2009
Dielectric properties of water under extreme conditions and transport of carbonates in the deep Earth
2013
Dissecting the Hydrogen Bond: A Quantum Monte Carlo Approach
2008