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Full-Time

Computational Materials Scientist

Catalysis and Reactivity

Posted on 2/23/2024

Schrödinger

Schrödinger

501-1,000 employees

Develops chemical simulation software for research

Consumer Software
Enterprise Software
AI & Machine Learning
Defense
Biotechnology
Healthcare

Senior

New York, NY, USA

Category
Data Management
Data Engineering Management
Data Analysis
Data & Analytics
Required Skills
Python
Requirements
  • PhD in Physical Chemistry, Computational Chemistry, Quantum Chemistry, Materials Science, Engineering, Physics, or a related scientific discipline
  • Microkinetic modeling and kinetic Monte Carlo background
  • Familiarity with ab initio molecular dynamics
  • Experience using periodic DFT codes to study the electronic structure of solids, surface properties, and heterogeneous catalytic reactions and kinetics
  • Python programming proficiency is a plus
  • Experience with machine learning potentials and periodic xTB is a plus
Responsibilities
  • Collaborate with internal and external stakeholders on computationally-driven catalysis materials discovery, analysis, and optimization using a combination of atomic-scale simulations and machine learning to analyze and model catalyst materials and processes
  • Build predictive catalyst performance models based on physics-based simulation and experimental data
  • Establish best practices for reactivity simulations to advise internal and external collaborators

Schrödinger develops advanced chemical simulation software for pharmaceutical, biotechnology, and materials research, utilizing a physics-based computational platform that integrates physics, chemistry, and predictive modeling to expedite innovation in drug discovery and materials design.

Company Stage

Grant

Total Funding

$652.2M

Headquarters

New York City, New York

Founded

1990

Growth & Insights
Headcount

6 month growth

3%

1 year growth

3%

2 year growth

3%
INACTIVE