Yannick Bomble

Research Scientist

Photo of  Yannick Bomble
(303) 384-7729
At NREL Since: 

Yannick Bomble received his B.S in Chemistry with minors in Physics and Mathematics in 2001 from the Lycée Faidherbe (Math Sup, Math Spé) and the Université des Sciences et Technologies de Lille (France). He received his Ph.D. in 2006 from the University of Texas at Austin in Chemical Physics under the supervision of Professor John Stanton. His graduate work involved the development and implementation, in the quantum chemical package ACES2, of new high-accuracy quantum chemical methods within the framework of coupled cluster theory. He then moved to the research group of Professor David Case at the Scripps Research Institute where he worked on nucleic acid flexibility within the nucleosome core particle and also studied protein-ligand interactions with flexible docking. During that time, he became one the developers of AMBER, a molecular mechanics program package.

Dr. Bomble joined NREL in April 2008 and works in close collaboration with Dr. Mike Himmel, Dr. Mike Crowley, and Dr. Mark Nimlos. His research focuses on understanding the formation and functioning of the cellulosome assembly using coarse-grained models that he is implementing using CHARMM. He also uses well-known computational methods and molecular mechanics program packages such as AMBER, CHARMM, and NAMD to study individual parts of the cellulosome assembly (catalytic domains, fibronectins, carbohydrate binding modules) with the intent of improving their efficiency in the processing of cellulose.

Selected Publications 

  1. Bomble, Y.J.; Case, D.A. (2008). "Multiscale modeling of nucleic acids: insights into DNA flexibility." Biopolymers (89:9); pp. 722-731.
  2. Cortez, M.H.; Brinkmann, N.R.; Polik, W.F.; Bomble, Y.J.; Taylor, P.R.; Stanton, J.F. (2007). "Factors Contributing to the Accuracy of Harmonic Force Field Calculations." J. Chem. Theory and Comput.
  3. Wheeler, S.E.; Robertson, K.A.; Allen, W.D.; Schaefer, H.F.; Bomble, Y.J.; Stanton, J.F. (2007). "Thermochemistry of Key Soot Formation Intermediates: Isomers of C3 H3." J. Phys. Chem. A.
  4. Bomble, Y.J.; Vazquez, J.; Kallay, M.; Michauk, C.; Szalay, P.G.; Csaszar, A.G.; Gauss, J.; Stanton, J.F. (2006). "HEAT: High Accuracy Extrapolated Ab Initio Thermochemistry II: Minor Improvements to the Protocol and a Vital Simplification." J. Chem. Phys. (125:64108);
  5. Bomble, Y.J. (2006). "Computer Software Review: ADF 2005 (Amsterdam Density Functional 2005)." J. Am. Chem. Soc. (128:3103);
  6. Bomble, Y.J.; Stanton, J.F.; Kallay, M.; Gauss, J. (2005). "Coupled cluster methods including noniterative approximate quadruple excitation corrections." J. Chem. Phys. (123:54101);
  7. Bomble, Y.J.; Saeh, J.C.; Stanton, J.F.; Szalay, P.G.; Kallay, M.; Gauss, J. (2005). "Equation-of-motion coupled-cluster methods for ionized states with an approximate treatment of triple excitations." J. Chem. Phys (122:154107);
  8. Hennrich, G.; David, W.M.; Bomble, Y.J.; Anslyn, E.V.; Brodbelt, J.S.; Stanton, J.F. (2004). "Self-assembling dimeric and trimeric aggregates based on solvophobic and charge pairing interactions." Supramolecular Chemistry (16:521);
  9. Bomble, Y.J.; Sattelmeyer, K.W.; Stanton, J.F.; Gauss, J. (2004). "On the vertical excitation energy of cyclopentadiene." J. Chem. Phys. (121:5236);
  10. Piatek, A.M.; Bomble, Y.J.; Wiskur, S.L.; Anslyn, E.V. (2004). "Threshold detection using indicator-displacement assays: An application in the analysis of malate in Pinot Noir grapes." J. Am. Chem. Soc. (126:6072);