Overview of Computational Methods and Machine Learning: Panel Talks

By Brett Matthew Savoie1; Pradeep Kumar Gurunathan2; Peilin Liao3; Xiulin Ruan4; Guang Lin4

1. Chemical Engineering, Purdue University, West Lafayette, IN 2. Chemistry, Purdue University, West Lafayette, IN 3. Materials Engineering, Purdue University, West Lafayette, IN 4. Mechanical Engineering, Purdue University, West Lafayette, IN

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Abstract

The Panel Discussion which follows these individual presentations can be found here.

Individucal Presentations:
Theory and Machine Learning in the Chemical Sciences, Brett Matthew Savoie;
Divide and Conquer with QM/MM Methods, Pradeep Kumar Gurunathan;
Computational Chemistry/Materials, Peilin Liao;
Optimizing Thermal Transport using a Genetic Algorithm, Xiulin Ruan;
Computational Methods & Machine Learning Algorithms, Guang Lin;

Sponsored by

Netork for Computational Nanotechnology

Cite this work

Researchers should cite this work as follows:

  • Brett Matthew Savoie, Pradeep Kumar Gurunathan, Peilin Liao, Xiulin Ruan, Guang Lin (2019), "Overview of Computational Methods and Machine Learning: Panel Talks," https://nanohub.org/resources/30760.

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Time

Location

Burton Morgan, Room 121, Purdue University, West Lafayette, IN

Tags

  1. algorithms
  2. chemistry
  3. computational chemistry
  4. machine learning
  5. NCN Group - Machine Learning
  6. QM/MM methods