Profile

Physicist and computational scientist with extensive experience in modeling and simulation, high-performance computing (HPC), and scientific software development. Expertise bridges established methodologies and emerging technologies, including AI/ML, HPC, and quantum computing, with a strong foundation in algorithm development, materials modeling, and quantum simulation.

Proficient in deploying and deploying scalable workflows on national and international HPC infrastructures (e.g., US DOE systems, EuroHPC JU, Jülich Supercomputing Centre, LUMI, and IREI). Experienced in securing competitive research funding at European (Horizon Europe, Digital Europe).

R&D and innovation specialist with a track record of supporting industry and SMEs through the European Digital Innovation Hub (EDIH-IS) and the National Competence Centre for HPC and AI (NCC-IS), contributing to technology adoption and digital transformation initiatives.

• Modeling and simulation across physics, chemistry, and materials science

• High-performance computing (HPC) workflows on international infrastructures (US DOE, EuroHPC JU, JSC, LUMI, IREI)

• Scientific software development and algorithm design

• Application of emerging, high-impact technologies, including AI/ML and quantum computing

• Materials modeling and quantum simulation

• Competitive grant writing (Horizon Europe, Digital Europe, COST, NordForsk, Rannís)

• Industry collaboration and SME support  (EDIH-IS, NCC-IS)

• Digital transformation and R&D innovation support

• Teaching and mentoring in quantum computing and computational science

Employment

Present

• Adjunct Associate Professor, Faculty of Industrial Engineering, Mechanical Engineering and Computer Science, University of Iceland

• Head of Quantum Simulation and Data Science Lab, Part of IHPC National Comptenence Center for HPC and AI in Iceland

Past

• Research Assistant Professor (Research Specialist, Rannsóknasérfræðingur), Faculty of Industrial Engineering, Mechanical Engineering and Computer Science, University of Iceland

• Senior postdoc, Science Institute, University of Iceland, Reykjavík, Iceland (Prof. Hannes Jónsson’s group).

• Research Assistant Professor (NTT),  Department of Physics, Temple University, Philadelphia, PA, USA (Prof. Adrienn Ruzsinszky Perdew's group).

• Postdoctoral research associate, Department of Physics and Astronomy, University of Delaware, Newark, DE, USA (Prof. Krzysztof Szalewicz's group).

• Postdoctoral research fellow, Département de Chimie Moléculaire (DCM), Université Joseph Fourier, Grenoble, France (Prof. Mark E. Casida's group).

• Ph.D. Research, Department of Physics, I.I.T. Kanpur, Kanpur, India (Prof. Manoj K. Harbola's group).

• Education

• Ph.D. (dual degree) in Physics, Indian Institute of Technology Kanpur, Kanpur, U.P., India.

• M.Sc. in Physics, Indian Institute of Technology Kanpur, Kanpur, U.P., India. Part of M.Sc.-Ph.D. (dual degree) programme.

• B.Sc. in Mathematics, Physics, and Chemistry (M.P.C.), Dr. V. S. Krishna Government. Degree College, Andhra University, Vishakapatnam, A.P., India.

• Intermediate in Mathematics, Physics, and Chemistry (M.P.C.), A. M. A. L. College, Anakapalle, A.P., India.

Grants

• [2025 - 2028] AIFA-ICE (AI Factory Antenna – Iceland), HORIZON JU Research and Innovation Actions, Icelandic Co-PI 

• [2025 - 2028] EDIH-IS 2.0, Digital Europe Programme (DIGITAL), Icelandic Co-PI 

• [2024 - 2026] TrustLLM: Democratizing Trustworthy and Efficient Large Language Model Technology for Europe, Horizon Europe Project, Icelandic Co-PI 

• [2023 - 2026] Management Committee (MC) member for Iceland in the European COST action CA22154 - Data-driven Applications towards the Engineering of functional Materials: an Open Network (DAEMON) 

Professional Service

• [2026 - Present]  Board Member, Nordic Research Software Engineers (RSE) (since March 12, 2026)

Awards and Scholastic achievements

• [04/2012] Recipient of Travel Grant Award by Council of Scientific and Industrial Research (CSIR), Government of India for presenting research in The Symposium “Challenges in Density Matrix and Density Functional Theory" at Ghent University, Ghent, Belgium.

• [2011 - 2014] Recipient of Senior Research Fellowship Award by CSIR, Government of India.

• [2011 - 2012] Recipient of Cash Award by DRPG I.I.T. Kanpur, India.

• [2009 - 2011] Recipient of Junior Research Fellowship Award by CSIR, Government of India.

• [2009] Secured All India Rank 126 (General Category, top 0.11 %) in CSIR-UGC NET. 

• [2009] Secured All India Rank 55 (General Category; 95.86 percentile) in JEST.

• [2006] Secured All India Rank 82 (General Category; top 2.09 %) in IIT-JAM.

Other Interests

• Other Interests: Variational Calculus, Unix Shell Scripting, Ancient History, Carnatic Music, Badminton.

CV

# Last update: 21 August 2025