Citation Impact
Citing Papers
Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems
2022 Standout
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
2021 Standout
The formation of sp3 bonding in compressed BN
2004 StandoutNobel
Pushing the frontiers of density functionals by solving the fractional electron problem
2021 StandoutScienceNobel
Quantum‐mechanical condensed matter simulations with CRYSTAL
2018 Standout
ANALYTICAL TRANSMISSION ELECTRON MICROSCOPY
2005
Ab initio calculations of mechanical properties: Methods and applications
2015
Cubic boron nitride: Experimental and theoretical energy-loss near-edge structure
2001
Atomic Decomposition Scheme of Noncovalent Interactions Applied to Host–Guest Assemblies
2019
PANNA: Properties from Artificial Neural Network Architectures
2020
Water electrolysis: from textbook knowledge to the latest scientific strategies and industrial developments
2022 Standout
Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery
2021
ChatGPT Research Group for Optimizing the Crystallinity of MOFs and COFs
2023 StandoutNobel
Search for Catalysts by Inverse Design: Artificial Intelligence, Mountain Climbers, and Alchemists
2019
A Data-Driven Framework for the Accelerated Discovery of CO2 Reduction Electrocatalysts
2021
Ionic Conduction Mechanism and Design of Metal–Organic Framework Based Quasi-Solid-State Electrolytes
2022 StandoutNobel
Synthetic organic chemistry driven by artificial intelligence
2019
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
2024 Standout
VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code
2021 Standout
Tuning the Activity of Oxygen in LiNi0.8Co0.15Al0.05O2 Battery Electrodes
2016 StandoutNobel
Density-Functional Perturbation Theory for Quasi-Harmonic Calculations
2010
The Evolution of Data-Driven Modeling in Organic Chemistry
2021
Works of Benjamin Meyer being referenced
Symmetrical tilt grain boundaries in body-centred cubic transition metals: Anab initiolocal-density-functional study
2000
DORI Reveals the Influence of Noncovalent Interactions on Covalent Bonding Patterns in Molecular Crystals Under Pressure
2019
Machine learning meets volcano plots: computational discovery of cross-coupling catalysts
2018
Ab initiostudy of iron and iron hydride: II. Structural and magnetic properties of close-packed Fe and FeH
1998
Machine learning models of the energy curvature vs particle number for optimal tuning of long-range corrected functionals
2020
Transferable Machine-Learning Model of the Electron Density
2018
Ab initio analysis of electron energy loss spectra for complex oxides
1999