E. Pijper

Evaluation of cytotoxic activity of platinum nanoparticles against normal and cancer cells and its anticancer potential through induction of apoptosis

Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

Density functional theory for transition metals and transition metal chemistry

Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces

Recent Advances in Electrocatalysts for Oxygen Reduction Reaction

Toward the rational design of non-precious transition metal oxides for oxygen electrocatalysis

Theoretical Methods of Potential Use for Studies of Inorganic Reaction Mechanisms

Mechanism of Methanol Synthesis on Cu through CO₂and CO Hydrogenation

Electrochemistry on the computer: Understanding how to tailor the metal overlayers for the oxygen reduction reaction

Time‐dependent density functional calculation of the energy loss of antiprotons colliding with metallic nanoshells

Status and perspectives of CO2 conversion into fuels and chemicals by catalytic, photocatalytic and electrocatalytic processes

Structurally Ordered Fe₃Pt Nanoparticles on Robust Nitride Support as a High Performance Catalyst for the Oxygen Reduction Reaction

Progress and Perspectives of Electrochemical CO₂ Reduction on Copper in Aqueous Electrolyte

Role of the Zn atomic arrangements in enhancing the activity and stability of the kinked Cu(2 1 1) site in CH3OH production by CO2 hydrogenation and dissociation: First-principles microkinetic modeling study

Recent advancements in Pt and Pt-free catalysts for oxygen reduction reaction

Challenges for Density Functional Theory

Emerging Two-Dimensional Nanomaterials for Electrocatalysis

Recent Advances in Carbon Dioxide Hydrogenation to Methanol via Heterogeneous Catalysis

Design of electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions

Recent advances and applications of machine learning in solid-state materials science

Understanding the electrocatalysis of oxygen reduction on platinum and its alloys

Plasmons in Strongly Coupled Metallic Nanostructures

A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Dissociative dynamics of spin-triplet and spin-singlet O2 on Ag(100)

Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction

Representing high-dimensional potential-energy surfaces for reactions at surfaces by neural networks

On representing chemical environments

Metal–organic frameworks and their derived nanostructures for electrochemical energy storage and conversion

Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks

Multi-dimensional potential energy surface determination by modified Shepard interpolation for a molecule–surface reaction: H2+ Pt(1 1 1)

The effect of corrugation on the quantum dynamics of dissociative and diffractive scattering of H2 from Pt(111)

Six-dimensional quantum and classical dynamics study of H2(ν=0,J=0) scattering from Pd(1 1 1)

Dissociative chemisorption of H2 on the Cu(110) surface: A quantum and quasiclassical dynamical study

Application of the modified Shepard interpolation method to the determination of the potential energy surface for a molecule–surface reaction: H2+Pt(111)

Chemically Accurate Simulation of a Prototypical Surface Reaction: H ₂ Dissociation on Cu(111)

Reactive and Nonreactive Scattering of H ₂ from a Metal Surface Is Electronically Adiabatic