Crystal structure prediction using the minima hopping method

How to predict very large and complex crystal structures

(2010) Andriy O. Lyakhov et al.   COMPUTER PHYSICS COMMUNICATIONS

Structural metastability of endohedral silicon fullerenes

(2010) Alex Willand et al.   PHYSICAL REVIEW B

Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test

(2009) Graeme M. Day et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

The performance of minima hopping and evolutionary algorithms for cluster structure prediction

(2009) Sandro E. Schönborn et al.   JOURNAL OF CHEMICAL PHYSICS

How to quantify energy landscapes of solids

(2009) Artem R. Oganov et al.   JOURNAL OF CHEMICAL PHYSICS

A Minima Hopping Study of All-Atom Protein Folding and Structure Prediction

(2009) Shantanu Roy et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structure and stability of semiconductor tip apexes for atomic force microscopy

(2009) P Pou et al.   NANOTECHNOLOGY

Adsorption of small NaCl clusters on surfaces of silicon nanostructures

(2009) Maximilian Amsler et al.   NANOTECHNOLOGY

Structure of large gold clusters obtained by global optimization using the minima hopping method

(2009) Kuo Bao et al.   PHYSICAL REVIEW B

A Major Advance in Crystal Structure Prediction

(2008) Marcus A. Neumann et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Evolutionary crystal structure prediction as a tool in materials design

(2008) Artem R Oganov et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Pressure-induced phase transitions in silicon studied by neural network-based metadynamics simulations

(2008) Jörg Behler et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Bell-Evans-Polanyi principle for molecular dynamics trajectories and its implications for global optimization

(2008) Shantanu Roy et al.   PHYSICAL REVIEW E

Ubiquitous Mechanisms of Energy Dissipation in Noncontact Atomic Force Microscopy

(2008) S. Alireza Ghasemi et al.   PHYSICAL REVIEW LETTERS