Principal Investigator, Computational Molecular Science

Hybrid in New York, NY, US • Posted 4 hours ago • Updated 4 hours ago
Full Time
No Travel Required
Hybrid
300000 - 800000/yr
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Job Details

Skills

  • Deep Learning
  • Neural Networks
  • CNN
  • RNN
  • Deep Reinforcement Learning
  • Deep Belief Nets
  • Boltzmann Machines
  • Graph Neural Networks
  • Transfer Learning
  • Python
  • Molecular Dynamics
  • Structural Biology
  • Medicinal Chemistry
  • Cheminformatics
  • Quantum Chemistry
  • Biophysics
  • Biochemistry
  • Drug Discovery
  • Protein Research
  • Supercomputing
  • Data Science
  • Generative Modeling
  • Interdisciplinary Collaboration
  • Machine Learning
  • PhD

Summary

Preface

This mandate demands a sophisticated fusion of Foundational Machine Learning and Computational Biophysics to redefine the boundaries of molecular discovery. We are seeking elite researchers who possess a rigorous academic pedigree—typically a Ph.D. or Master’s in a quantitative field—and a first-principles mastery of deep learning architectures. The successful candidate will bridge the gap between abstract algorithmic theory and tangible scientific application, leveraging high-performance computational frameworks to decouple complex biological interactions. This role is designed for the intellectual polymath capable of synthesizing advanced neural networks with the nuances of quantum chemistry and structural biology to drive systemic breakthroughs in drug design.


The Mission

The objective is to spearhead the integration of generative and predictive modeling within a high-velocity scientific computing environment. You will join an elite interdisciplinary collective to orchestrate the next evolution of biomolecular simulation. By deploying sophisticated machine learning methodologies, you will optimize the accuracy of molecular dynamics and formalize new pathways for therapeutic intervention. This is a mission centered on technical synthesis, where your innovations in deep learning will directly influence the architectural depth of protein research and molecular modeling.


Core Technical Objectives

  • Synthesize novel deep learning architectures to accelerate the discovery and optimization of small molecules and macromolecules.

  • Engineer robust Python-based frameworks to facilitate large-scale biophysical simulations and quantum chemical modeling.

  • Validate the efficacy of neural networks in predicting molecular behavior, ensuring high-fidelity alignment with experimental data.

  • Orchestrate collaborative research efforts between computer scientists and experimentalists to formalize data-driven discovery pipelines.

  • Optimize existing algorithmic models to leverage specialized high-performance computing infrastructure, achieving unprecedented simulation speeds.

  • Deploy advanced generative models and reinforcement learning techniques to explore vast chemical spaces for potential drug candidates.


Candidate DNA

  • Architectural Philosophy: A commitment to first-principles thinking, viewing machine learning not as a black box but as a precise instrument for scientific inquiry.

  • Technical Depth: Profound expertise in deep learning taxonomies, including but not limited to Graph Neural Networks (GNNs), Transformer architectures, and Reinforcement Learning.

  • Computational Fluency: Advanced proficiency in Python, with a preference for candidates who demonstrate mastery of the broader scientific computing stack (PyTorch, JAX, or TensorFlow).

  • Intellectual Versatility: The capacity to pivot between diverse domains such as cheminformatics, structural biology, and quantum mechanics with forensic precision.


Academic & Research Pedigree

  • Educational Foundation: An advanced degree (Ph.D. or Master’s) in Computer Science, Physics, Chemistry, Computational Biology, or a related quantitative discipline.

  • Mathematical Rigor: A proven track record of innovation, evidenced by high-impact research, peer-reviewed publications, or the development of sophisticated algorithmic solutions.

  • Industry/Lab Experience: Significant tenure within elite academic labs, biotech innovators, or foundational AI research groups.


Partnering with StaffRight Associates

At StaffRight Associates, we operate at the intersection of technical synthesis and structural alignment. We don’t just match resumes to keywords; we map your engineering DNA, your architectural philosophy, your approach to system resilience, and your Goal-Execution-Mapping, to the most sophisticated STEM challenges in the industry. When you partner with us, you are engaging with a team that speaks your language and understands the nuances of high-stakes innovation. We are committed to placing elite talent where their technical contributions drive systemic impact.

Employers have access to artificial intelligence language tools (“AI”) that help generate and enhance job descriptions and AI may have been used to create this description. The position description has been reviewed for accuracy and Dice believes it to correctly reflect the job opportunity.
  • Dice Id: 90939179
  • Position Id: 8955949
  • Posted 4 hours ago

Company Info

About StaffRight Associates, LLC

StaffRight Associates is a premier recruitment and staffing partner that provides talent to a broad and diverse range of corporate disciplines. StaffRight was crafted out of an industry need to better manage the processes and complexities of today’s recruitment and staffing demands. With company beginnings formulated in the industry over 30 years ago, our founder realized that there was a definitive need to utilize recruitment and staffing more efficiently and effectively than what has been the typical industry standard model. StaffRight is dedicated to servicing our clients with a comprehensive, scientific approach of refining the process throughout our clients' engagements.  

Understanding and committing to our employees is critical to the growth and sustainability of StaffRight. We are of the opinion that regardless of their expertise, a successful company needs great people. The success of an employee is realized in a variety of different ways, but for us, we go well beyond one's credentials and interview. Finding the best employees who possess the needed skills, experience, and education are certainly key in a hire, but to truly find great employees who feel they are an integral part of the company, it takes tremendous insight in understanding what makes someone successful. Passion for one’s work, commitment to excellence, and having a ‘get it done’ attitude are essential for a great employee. Having these qualities also goes a long way in ensuring that an employee always has the client's best interests in mind. Great employees are passionate about their work and the company where they hang their jacket. Additionally, we believe that having refined and solid communication skills is also paramount in enabling all employees to work together towards the common goals and successes of the company. This collaboration is very much based on our employees' ability to listen to others and respond effectively, both internally with each other, and externally to our clients. 

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