Andrey Golov
@andreygolov
Computational chemist with expertise in materials science and cheminformatics.
What I'm looking for
I am a computational chemist with over 10 years of experience in theoretical materials science and cheminformatics. My research focuses on developing novel methodologies and computational tools for the design, high-throughput screening, and characterization of functional materials. I bring deep expertise in software engineering, quantum chemistry, and data-driven approaches to accelerate materials discovery and advance technologies.
Currently, I work as a researcher at CIC energiGUNE, where I have developed a computational workflow that integrates DFT, machine-learned interatomic potentials, and molecular dynamics to model SEI formation. This work has led to a fourfold improvement in interfacial stability. I have also contributed to major European battery projects, collaborating with industry and academic partners, delivering project deliverables, and co-authoring peer-reviewed publications.
My background includes a Ph.D. in Chemical Science from Samara University, where I developed methods for geometrical-topological characterization of microporous crystalline compounds. I have implemented several software tools and databases that have been utilized in numerous publications, showcasing my commitment to advancing the field through innovative solutions.
Experience
Work history, roles, and key accomplishments
Researcher, Battery Modeling
CIC energiGUNE
Jan 2021 - Present (4 years 4 months)
As a researcher at CIC energiGUNE, I developed computational workflows integrating DFT and machine learning for battery modeling, significantly improving interfacial stability. I contributed to major European battery projects, delivering key publications and technical reports.
Researcher, Theoretical Materials Science
Samara Polytech
May 2019 - Jan 2021 (1 year 8 months)
At Samara Polytech, I developed methods for characterizing microporous crystalline compounds and contributed to network topological models for solid-state transformations, resulting in multiple peer-reviewed publications.
Software Developer
IonExplorer2
Developed IonExplorer2, a program for calculating ion diffusion characteristics in crystalline ion conductors, which has been utilized in several peer-reviewed publications.
Database Contributor
SACADA
Contributed to SACADA, a database of 3D-periodic carbon allotropes, enhancing its accessibility and usage among researchers worldwide.
Software Developer
TopCryst
Implemented the backend for TopCryst, a web service for automatic identification of crystal structures, which has been widely used for analyzing CIF files globally.
Education
Degrees, certifications, and relevant coursework
Samara University
Ph.D., Chemical Science
2014 - 2019
Pursued a Ph.D. in Chemical Science, focusing on theoretical materials science and cheminformatics. Developed methodologies and computational tools for the design and characterization of functional materials.
Availability
Location
Authorized to work in
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