1.

Conference Proceedings
Conference Proceedings
1. (231aw) Developing First Principles Monte Carlo Methods for Phase Equilibria in the CP2K Software Suite
Neeraj Rai ; J. Ilja Siepmann ; Troy Van Voorhis ; Ben Slater ; Michiel Sprik
Pub. info.: Engineering Sciences and Fundamentals 2014 : Core Programming Area at the 2014 AIChE Annual Meeting : Atlanta, Georgia, USA, 16-21 November 2014.  pp.388-388,  2014.  New York.  American Institute of Chemical Engineers
Title of ser.: AIChE Conference Proceedings
Ser. no.: 2014
2.

Conference Proceedings
Conference Proceedings
2. (231ax) Structural and Transport Properties of Liquid Benzene
Shanmuga Venkatesan ; Katie A. Maerzke ; Neeraj Rai ; J. Ilja Siepmann
Pub. info.: Engineering Sciences and Fundamentals 2014 : Core Programming Area at the 2014 AIChE Annual Meeting : Atlanta, Georgia, USA, 16-21 November 2014.  pp.389-389,  2014.  New York.  American Institute of Chemical Engineers
Title of ser.: AIChE Conference Proceedings
Ser. no.: 2014
3.

Conference Proceedings
Conference Proceedings
3. 716f. Monte Carlo Simulations of 1,3,5-Triamino-2,4,6-Trinitrobenzene (TATB): Pvt Data, Phase Equilibria, and Solubility
J. Ilja Siepmann ; Neeraj Rai ; John L. Lewin ; Divesh Bhatt ; Laurence E. Fried
Pub. info.: AIChE annual meeting, Philadelphia 100 : conference proceedings : 1908 to 2008 : 2008 AIChE annual meeting, Philadelphia, PA, November 16-21, 2008. Non-topical conferences.  pp.P138530-,  2008.  New York.  American Institute of Chemical Engineers
Title of ser.: AIChE Conference Proceedings
Ser. no.: P-255
4.

Conference Proceedings
Conference Proceedings
4. 738d. Predicting the Formation of Multiple Hydrates for a Complex Zwitterionic Drug Compound
Neeraj Rai ; Xin S. Zhao ; J. Ilja Siepmann
Pub. info.: AIChE annual meeting, Philadelphia 100 : conference proceedings : 1908 to 2008 : 2008 AIChE annual meeting, Philadelphia, PA, November 16-21, 2008. Non-topical conferences.  pp.P138621-,  2008.  New York.  American Institute of Chemical Engineers
Title of ser.: AIChE Conference Proceedings
Ser. no.: P-255
5.

Conference Proceedings
Conference Proceedings
5. 533d. Extending Transferable Potentials for Phase Equilibria Force Field to Hydrofluorocarbon and Perfluorocarbons
Neeraj Rai ; J. Ilja Siepmann
Pub. info.: AIChE annual meeting, Philadelphia 100 : conference proceedings : 1908 to 2008 : 2008 AIChE annual meeting, Philadelphia, PA, November 16-21, 2008. Non-topical conferences.  pp.P137686-,  2008.  New York.  American Institute of Chemical Engineers
Title of ser.: AIChE Conference Proceedings
Ser. no.: P-255
6.

Conference Proceedings
Conference Proceedings
6. Application of the Trappe Force Field to the Prediction of Solubility Parameters and Miscibilities
J. Ilja Siepmann ; Neeraj Rai ; Richard B. Ross
Pub. info.: 2006 AIChE annual meeting, November 12-17, 2006, San Francisco, California, San Francisco Hilton : conference proceedings. Non-topical conferences.  2006.  New York.  American Institute of Chemical Engineers
Title of ser.: AIChE Conference Proceedings
Ser. no.: P-235
7.

Conference Proceedings
Conference Proceedings
7. (289g) Development of the TraPPE Force Field for Substituted Arenes, Heteroarenes, and Cyclic Alkanes and Ethers
J. Ilja Siepmann ; Neeraj Rai ; Katie A. Maerzke ; Rebecca K. Lindsey ; Samuel J. Keasler
Pub. info.: 2011 AIChE annual meeting, October 16-21, Minneapolis Convention Center, Minneapolis, MN : conference proceedings : Non-topical conferences.  2011.  New York.  American Institute of Chemical Engineers
Title of ser.: AIChE Conference Proceedings
Ser. no.: P-267
8.

Conference Proceedings
Conference Proceedings
8. 160e. Development and Application of the Trappe Force Field
J. Ilja Siepmann ; Collin D. Wick ; John M. Stubbs ; Ling Zhang ; Neeraj Rai
Pub. info.: 2005 annual meeting & fall showcase : '05 AIChE, Oct 30 - Nov 4 : conference proceedings, Cincinnati Convention Center, Cincinnati, OH : non-topical presentation records : 21. Computational Molecular Science and Engineering Forum.  2005.  New York.  American Institute of Chemical Engineers
Title of ser.: AIChE Conference Proceedings
Ser. no.: P-221(2)
9.

Conference Proceedings
Conference Proceedings
9. (289g) Development of the TraPPE Force Field for Substituted Arenes, Heteroarenes, and Cyclic Alkanes and Ethers
J. Ilja Siepmann ; Neeraj Rai ; Katie A. Maerzke ; Rebecca K. Lindsey ; Samuel J. Keasler
Pub. info.: 2011 AIChE annual meeting, October 16-21, Minneapolis Convention Center, Minneapolis, MN : conference proceedings : Non-topical conferences.  2011.  New York.  American Institute of Chemical Engineers
Title of ser.: AIChE Conference Proceedings
Ser. no.: P-267