Malay Kalavadia

Co-Founder

Ireland3 yrs 1 mo experience
AI EnabledAI ML Practitioner

Key Highlights

  • PhD candidate with a focus on computational chemistry.
  • Experience in interdisciplinary collaborations and AI-driven research.
  • Strong background in molecular modeling and quantum chemical simulations.
Stackforce AI infers this person is a Chemistry Researcher with a focus on Computational Chemistry and AI applications.

Contact

Skills

Core Skills

Undergraduate Teaching

Other Skills

Team CollaborationDensity Functional TheoryComputational ChemistryMolecular ModelingGaussian 03AvogadroPython (Programming Language)Protein StructureOrigin (Software)Molecular DynamicsBioinformaticsDrug DiscoveryDeep LearningArtificial Intelligence (AI)Pharmacokinetics

About

I’m a chemistry graduate from IIT Roorkee with a strong interest in computational chemistry, molecular modeling, and AI-driven research. My Master’s thesis focused on exploring the optical and magnetically induced properties of helicene-fused porphyrins using DFT and TDDFT methods. My broader research interests lie in combining quantum chemical simulations with machine learning techniques to solve problems in molecular design, spectroscopy, and drug discovery. I enjoy working at the interface of chemistry and computation and have developed skills in tools such as ORCA, Gaussian, RDKit, PyTorch, TensorFlow, and Python. I'm always excited to explore interdisciplinary collaborations and new opportunities in theoretical chemistry and data-driven molecular science.

Experience

Chemistry department, iit roorkee

Department Academic Program Council Representative

Oct 2023Mar 2025 · 1 yr 5 mos

Election commission, iit roorke

Chief Elections Officer

Apr 2023Apr 2024 · 1 yr

  • My primary duty as Chief Election Officer is to ensure the electoral process runs smoothly and fairly. This entails managing each step of the election process, from planning and organizing to carrying it out and conducting an evaluation. Responsible for upholding the election's transparency and integrity while abiding by the specified guidelines.
  • I work as a link between the administrative and student teams active in the election as the main point of contact. To maintain the integrity and efficient operation of the election, I also play a critical role in resolving any problems or concerns that may emerge throughout the voting process.

Gambitor, iit roorkee

Convener

Aug 2022Mar 2023 · 7 mos

  • As a convener, manage the national-level examination for students in classes 9th to 12th held by IIT Roorkee, GambitoR. This includes managing a team of 70 people, guaranteeing good coordination, and directing the event's public relations operations.
  • As a convener, administer GambitoR's public relations, ensuring good communication with participants, schools, and stakeholders. In addition, I monitor the technical aspects of the examination, guaranteeing a smooth and fair assessment procedure for the more than 4000 students from around India who participate.

Academic reinforcement program - iit roorkee

Joint Secretary

Jul 2022Jun 2023 · 11 mos

  • As the Joint Secretary of the Academic Reinforcement Program (ARP), I efficiently allocate Undergraduate Teaching Assistants (UGTAs) to guide and support incoming students throughout their academic journey. Furthermore, I actively contribute to organizing events like the internship and placement blog series, collaborating with team members to provide valuable insights. Additionally, I participate in events such as "Leaf Out of Experience," promoting knowledge sharing and fostering a culture of learning within the academic community.
Undergraduate TeachingTeam Collaboration

Institute academic council

Senior Executive Member

Jul 2022May 2023 · 10 mos

  • Guided academic programs to meet industry demands, led curriculum revision, and ensured quality assurance in academic activities as Academic Council executive
  • Actively participated in Institute Academic Programme Committee (IAPC) meetings, providing thoughts on curriculum, policies, and course structures to have a meaningful impact.

Rasaionix

Founder and Secretary

Jun 2022Jun 2023 · 1 yr

  • Initiated and established Rasaionix as a Chemistry Department Student Cell, providing a dedicated space
  • for students to explore and engage in discussions and activities related to the field of chemistry.
  • Leading the planning and execution of events like 'ChemDay,' including guest lectures, workshops, and
  • academic competitions to create an engaging environment for chemistry students while enhancing
  • knowledge exchange and networking within the department.

Outreach cell iit roorkee

Secretary

Jun 2022Jun 2023 · 1 yr

  • As Secretary of the Outreach Cell at IIT Roorkee, I lead a team organizing events and initiatives to elevate
  • the institute's academic reputation and promote industry-academia collaborations
  • Our goal is to position IIT Roorkee as a hub of academic excellence by facilitating knowledge exchange,
  • hosting national-level competitions, and arranging guest lectures to attract industry recognition.

Iit roorkee

Undergraduate Teaching Assistant

Jan 2022Jun 2022 · 5 mos

  • Proactively addressing junior students' academic queries and doubts related to the chemistry course
  • material. This involved providing explanations, clarifications, and examples to help them grasp complex
  • concepts and improve their understanding of the subject.
  • Offering guidance and tips to junior students on effectively preparing for chemistry examinations. This
  • involved sharing study strategies, recommending helpful resources, and conducting review sessions to
  • ensure they were well-prepared and confident for their exams in the chemistry course.

Education

University of Limerick

Doctor of Philosophy - PhD — Chemistry

Oct 2025Present

Indian Institute of Technology, Roorkee

Integrated Masters of Science — Chemistry

Nov 2020May 2025

National Tsing Hua University

Semester Exchange — Chemistry

Feb 2024Jun 2024

Shakti School, Rajkot

Higher Secondary School

Jun 2018May 2020

Dream International School

Secondary School

Jul 2016Apr 2018

University of Limerick

Doctor of Philosophy - PhD — Chemistry

Oct 2025Present

University of Limerick

Doctor of Philosophy - PhD — Computational chemistry

Oct 2025Present

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