Max Avdeev

Australian Nuclear Science and Technology Organisation, ANSTO, B87, New Illawarra Rd, Lucas Heights NSW 2234, Australia

Neutron scattering has long history of application in materials science. High penetrating power of centimeter size neutron beams allows to study bulk samples often in situ or in operando under conditions similar to real life environment. In parallel, the recent past has seen rapid development of methods and codes for classical and ab initio calculations which can now accurately model crystal structure and dynamics of materials at the atomic scale. I will present recent examples of complementing neutron scattering experiments at ANSTO with atomistic modeling that led to new insights into relationships between structure and physical properties of interest in various advanced materials of technological importance.