I develop and apply a variety of computational techniques to study properties of materials and their interfaces, ranging from minerals to soft matter.
With aid of computer modeling, I provide molecular-level insights for systems ranging from polymers to minerals. I focus on studying the dynamics within the materials, state transitions, as well as their properties and interfaces.
The applications of my research are numerous, such as abiogenetic origins of life, enhanced oil recovery, crystal formation and growth prevention, modifications of layered materials for desired functionality, soil and water pollution and remediation, separation of polymeric matrices, and software development.
V Erastova*✉, K Ruengkajorn*, JC Buffet, HC Greenwell & D O’Hare, “Aqueous Immiscible Layered Double Hydroxides: Synthesis, Characterisation and Molecular Dynamics Simulation”, ChemComm (COVER by V Erastova)
A 39-month PhD, under the supervision of Dr Paul Hodgkinson, funded by Leverhulme Trust, is available immediately in Durham University. The project aims to understand disorder in molecular organic solids using solid-state NMR, coupled with cutting-edge computational methods developed in the research group. For more information see “Making Sense of Disorder in Molecular Organic Solids” www.findaphd.com … Continue reading PhD position in solid-state NMR + MD
It was honoured to be invited to the Annual BRSG meeting: “Advances in experimental and simulation methods for NMR and EPR“ and to deliver a talk about my very recent work linking solid-state NMR and molecular dynamics simulations. The annual meeting was dedicated to celebrating 50 years in NMR of Prof. Jim Emsley and Prof. Geoffrey Luckhurst. … Continue reading Invited talk at “Advances in Experimental and Simulation Methods for NMR and EPR”