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Garnet K.L. Chan - Publications

Affiliations: 
2004-2012 Chemistry and Chemical Biology Cornell University, Ithaca, NY, United States 
 2012- Chemistry Princeton University, Princeton, NJ 
Area:
theoretical chemistry
Website:
https://www.princeton.edu/chemistry/news/archive/index.xml?id=6135

85 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Sun Q, Zhang X, Banerjee S, Bao P, Barbry M, Blunt NS, Bogdanov NA, Booth GH, Chen J, Cui ZH, Eriksen JJ, Gao Y, Guo S, Hermann J, Hermes MR, ... ... Chan GK, et al. Recent developments in the PySCF program package. The Journal of Chemical Physics. 153: 024109. PMID 32668948 DOI: 10.1063/5.0006074  1
2017 Sayfutyarova ER, Sun Q, Chan GK, Knizia G. Automated construction of molecular active spaces from atomic valence orbitals. Journal of Chemical Theory and Computation. PMID 28731706 DOI: 10.1021/Acs.Jctc.7B00128  1
2016 Roemelt M, Guo S, Chan GK. A projected approximation to strongly contracted N-electron valence perturbation theory for DMRG wavefunctions. The Journal of Chemical Physics. 144: 204113. PMID 27250285 DOI: 10.1063/1.4950757  0.4
2016 Wouters S, Jimenez-Hoyos CA, Sun Q, Chan GK. A practical guide to density matrix embedding theory in quantum chemistry. Journal of Chemical Theory and Computation. PMID 27159268 DOI: 10.1021/acs.jctc.6b00316  1
2016 Guo S, Watson MA, Hu W, Sun Q, Chan GK. N -electron valence state perturbation theory based on a density matrix renormalization group reference function, with applications to the chromium dimer and a trimer model of poly-p-phenylene vinylene. Journal of Chemical Theory and Computation. PMID 26914415 DOI: 10.1021/acs.jctc.5b01225  1
2015 Hu W, Chan GK. Excited-State Geometry Optimization with the Density Matrix Renormalization Group, as Applied to Polyenes. Journal of Chemical Theory and Computation. 11: 3000-9. PMID 26575737 DOI: 10.1021/acs.jctc.5b00174  1
2015 Olivares-Amaya R, Hu W, Nakatani N, Sharma S, Yang J, Chan GK. The ab-initio density matrix renormalization group in practice. The Journal of Chemical Physics. 142: 034102. PMID 25612684 DOI: 10.1063/1.4905329  1
2015 Booth GH, Chan GKL. Spectral functions of strongly correlated extended systems via an exact quantum embedding Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/PhysRevB.91.155107  1
2015 van Aggelen H, Chan GKL. Single-particle energies and density of states in density functional theory Molecular Physics. DOI: 10.1080/00268976.2015.1036147  0.56
2015 Shao Y, Gan Z, Epifanovsky E, Gilbert ATB, Wormit M, Kussmann J, Lange AW, Behn A, Deng J, Feng X, Ghosh D, Goldey M, Horn PR, Jacobson LD, Kaliman I, et al. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215. DOI: 10.1080/00268976.2014.952696  0.52
2014 Sun Q, Chan GK. Exact and Optimal Quantum Mechanics/Molecular Mechanics Boundaries. Journal of Chemical Theory and Computation. 10: 3784-90. PMID 26588523 DOI: 10.1021/ct500512f  1
2014 Lipman GS, Ellis MA, Lewis EJ, Waite BL, Lissoway J, Chan GK, Krabak BJ. A prospective randomized blister prevention trial assessing paper tape in endurance distances (Pre-TAPED). Wilderness & Environmental Medicine. 25: 457-61. PMID 25443754 DOI: 10.1016/J.Wem.2014.06.013  0.04
2014 Sharma S, Sivalingam K, Neese F, Chan GKL. Low-energy spectrum of iron-sulfur clusters directly from many-particle quantum mechanics Nature Chemistry. 6: 927-933. PMID 25242489 DOI: 10.1038/Nchem.2041  1
2014 Sharma S, Chan GK. Communication: A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states. The Journal of Chemical Physics. 141: 111101. PMID 25240335 DOI: 10.1063/1.4895977  1
2014 Yang J, Hu W, Usvyat D, Matthews D, Schütz M, Chan GK. Theoretical chemistry. Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy. Science (New York, N.Y.). 345: 640-3. PMID 25104379 DOI: 10.1126/Science.1254419  1
2014 Wang K, Sturt-Gillespie B, Hittle JC, Macdonald D, Chan GK, Yen TJ, Liu ST. Thyroid hormone receptor interacting protein 13 (TRIP13) AAA-ATPase is a novel mitotic checkpoint-silencing protein. The Journal of Biological Chemistry. 289: 23928-37. PMID 25012665 DOI: 10.1074/Jbc.M114.585315  0.08
2014 Lipman GS, Krabak BJ, Waite BL, Logan SB, Menon A, Chan GK. A prospective cohort study of acute kidney injury in multi-stage ultramarathon runners: The biochemistry in endurance runner study (BIERS) Research in Sports Medicine. 22: 185-192. PMID 24650338 DOI: 10.1080/15438627.2014.881824  0.01
2014 Sharma S, Yanai T, Booth GH, Umrigar CJ, Chan GK. Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimer. The Journal of Chemical Physics. 140: 104112. PMID 24628157 DOI: 10.1063/1.4867383  1
2014 Nakatani N, Wouters S, Van Neck D, Chan GK. Linear response theory for the density matrix renormalization group: efficient algorithms for strongly correlated excited states. The Journal of Chemical Physics. 140: 024108. PMID 24437866 DOI: 10.1063/1.4860375  1
2014 Lamba S, DeSandre PL, Todd KH, Bryant EN, Chan GK, Grudzen CR, Weissman DE, Quest TE. Integration of palliative care into emergency medicine: the Improving Palliative Care in Emergency Medicine (IPAL-EM) collaboration. The Journal of Emergency Medicine. 46: 264-70. PMID 24286714 DOI: 10.1016/J.Jemermed.2013.08.087  0.01
2014 Lee S, Park YY, Kim SH, Nguyen OT, Yoo YS, Chan GK, Sun X, Cho H. Human mitochondrial Fis1 links to cell cycle regulators at G2/M transition. Cellular and Molecular Life Sciences : Cmls. 71: 711-25. PMID 23907611 DOI: 10.1007/s00018-013-1428-8  0.28
2014 Wouters S, Verstichel B, Van Neck D, Chan GKL. Projector quantum Monte Carlo with matrix product states Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.045104  1
2014 Chen Q, Booth GH, Sharma S, Knizia G, Chan GKL. Intermediate and spin-liquid phase of the half-filled honeycomb Hubbard model Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.165134  1
2014 Nakatani N, Wouters S, Van Neck D, Chan GKL. Linear response theory for the density matrix renormalization group: Efficient algorithms for strongly correlated excited states Journal of Chemical Physics. 140. DOI: 10.1063/1.4860375  1
2014 Sun Q, Chan GKL. Exact and optimal quantum mechanics/molecular mechanics boundaries Journal of Chemical Theory and Computation. 10: 3784-3790. DOI: 10.1021/ct500512f  0.56
2014 Kinder JM, Ralph CC, Chan GKL. Analytic time evolution, random phase approximation, and green functions for matrix product states Advances in Chemical Physics. 154: 179-192.  1
2013 Knizia G, Chan GK. Density Matrix Embedding: A Strong-Coupling Quantum Embedding Theory. Journal of Chemical Theory and Computation. 9: 1428-32. PMID 26587604 DOI: 10.1021/ct301044e  1
2013 Mularski RA, Reinke LF, Carrieri-Kohlman V, Fischer MD, Campbell ML, Rocker G, Schneidman A, Jacobs SS, Arnold R, Benditt JO, Booth S, Byock I, Chan GK, Curtis JR, Donesky D, et al. An official American Thoracic Society workshop report: assessment and palliative management of dyspnea crisis. Annals of the American Thoracic Society. 10: S98-106. PMID 24161068 DOI: 10.1513/Annalsats.201306-169St  0.01
2013 Lamba S, Schmidt TA, Chan GK, Todd KH, Grudzen CR, Weissman DE, Quest TE. Integrating palliative care in the out-of-hospital setting: four things to jump-start an EMS-palliative care initiative. Prehospital Emergency Care : Official Journal of the National Association of Ems Physicians and the National Association of State Ems Directors. 17: 511-20. PMID 23968313 DOI: 10.3109/10903127.2013.811566  0.01
2013 Kurashige Y, Chan GK, Yanai T. Entangled quantum electronic wavefunctions of the Mn₄CaO₅ cluster in photosystem II. Nature Chemistry. 5: 660-6. PMID 23881496 DOI: 10.1038/nchem.1677  0.68
2013 Nakatani N, Chan GK. Efficient tree tensor network states (TTNS) for quantum chemistry: generalizations of the density matrix renormalization group algorithm. The Journal of Chemical Physics. 138: 134113. PMID 23574214 DOI: 10.1063/1.4798639  1
2013 Schütz M, Yang J, Chan GK, Manby FR, Werner HJ. The orbital-specific virtual local triples correction: OSV-L(T). The Journal of Chemical Physics. 138: 054109. PMID 23406100 DOI: 10.1063/1.4789415  1
2013 Whetzel E, Walker-Cillo G, Chan GK, Trivett J. Emergency nurse perceptions of individual and facility emergency preparedness. Journal of Emergency Nursing: Jen : Official Publication of the Emergency Department Nurses Association. 39: 46-52. PMID 21963139 DOI: 10.1016/J.Jen.2011.08.005  0.01
2012 Watson MA, Chan GK. Excited States of Butadiene to Chemical Accuracy: Reconciling Theory and Experiment. Journal of Chemical Theory and Computation. 8: 4013-4018. PMID 26605568 DOI: 10.1021/ct300591z  0.4
2012 Knizia G, Chan GK. Density matrix embedding: a simple alternative to dynamical mean-field theory. Physical Review Letters. 109: 186404. PMID 23215304 DOI: 10.1103/PhysRevLett.109.186404  1
2012 Booth GH, Chan GK. Communication: Excited states, dynamic correlation functions and spectral properties from full configuration interaction quantum Monte Carlo. The Journal of Chemical Physics. 137: 191102. PMID 23181287 DOI: 10.1063/1.4766327  1
2012 Quest TE, Chan GK, Derse A, Stone S, Todd KH, Zalenski R. Palliative care in emergency medicine: past, present, and future. Journal of Palliative Medicine. 15: 1076-81. PMID 22913363 DOI: 10.1089/Jpm.2012.9553  0.01
2012 Bennett MJ, Chan GK, Rattner JB, Schriemer DC. Low-dose laulimalide represents a novel molecular probe for investigating microtubule organization. Cell Cycle (Georgetown, Tex.). 11: 3045-54. PMID 22871740 DOI: 10.4161/cc.21411  0.01
2012 Purvis S, Brown E, Chan GK, Dresser S, Fulton JS, Koyama K, Mayo A, Tracy MF. The National Association of Clinical Nurse Specialists response to the Institute of Medicine's The Future of Nursing report. Clinical Nurse Specialist Cns. 26: 222-4. PMID 22678189 DOI: 10.1097/Nur.0B013E31825Aec96  0.08
2012 Yanai T, Kurashige Y, Neuscamman E, Chan GK. Extended implementation of canonical transformation theory: parallelization and a new level-shifted condition. Physical Chemistry Chemical Physics : Pccp. 14: 7809-20. PMID 22576009 DOI: 10.1039/c2cp23767a  0.68
2012 Pickham D, Shinn JA, Chan GK, Funk M, Drew BJ. Quasi-experimental study to improve nurses' QT-interval monitoring: results of QTIP study. American Journal of Critical Care : An Official Publication, American Association of Critical-Care Nurses. 21: 195-200; quiz 201. PMID 22549576 DOI: 10.4037/Ajcc2012245  0.01
2012 Yang J, Chan GK, Manby FR, Schütz M, Werner HJ. The orbital-specific-virtual local coupled cluster singles and doubles method. The Journal of Chemical Physics. 136: 144105. PMID 22502499 DOI: 10.1063/1.3696963  1
2012 Sharma S, Chan GK. Spin-adapted density matrix renormalization group algorithms for quantum chemistry. The Journal of Chemical Physics. 136: 124121. PMID 22462849 DOI: 10.1063/1.3695642  1
2012 Kurashige Y, Yang J, Chan GK, Manby FR. Optimization of orbital-specific virtuals in local Møller-Plesset perturbation theory. The Journal of Chemical Physics. 136: 124106. PMID 22462834 DOI: 10.1063/1.3696962  0.4
2012 Zgid D, Gull E, Chan GKL. Truncated configuration interaction expansions as solvers for correlated quantum impurity models and dynamical mean-field theory Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.165128  1
2011 Hachmann J, Frazier BA, Wolczanski PT, Chan GK. A theoretical study of the 3d-M(smif)2 complexes: structure, magnetism, and oxidation states. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 3236-44. PMID 21954028 DOI: 10.1002/Cphc.201100286  0.88
2011 Chan GK. Trajectories of approaching death in the emergency department: clinician narratives of patient transitions to the end of life. Journal of Pain and Symptom Management. 42: 864-81. PMID 21624814 DOI: 10.1016/J.Jpainsymman.2011.02.023  0.01
2011 Zanni KL, Chan GK. Laser capture microdissection: understanding the techniques and implications for molecular biology in nursing research through analysis of breast cancer tumor samples. Biological Research For Nursing. 13: 297-305. PMID 21444330 DOI: 10.1177/1099800411402054  0.01
2011 Zgid D, Chan GK. Dynamical mean-field theory from a quantum chemical perspective. The Journal of Chemical Physics. 134: 094115. PMID 21384958 DOI: 10.1063/1.3556707  1
2011 Vos LJ, Famulski JK, Chan GK. hZwint-1 bridges the inner and outer kinetochore: identification of the kinetochore localization domain and the hZw10-interaction domain. The Biochemical Journal. 436: 157-68. PMID 21345172 DOI: 10.1042/BJ20110137  0.32
2011 Famulski JK, Vos LJ, Rattner JB, Chan GK. Dynein/Dynactin-mediated transport of kinetochore components off kinetochores and onto spindle poles induced by nordihydroguaiaretic acid. Plos One. 6: e16494. PMID 21305043 DOI: 10.1371/journal.pone.0016494  0.28
2011 Yang J, Kurashige Y, Manby FR, Chan GK. Tensor factorizations of local second-order Møller-Plesset theory. The Journal of Chemical Physics. 134: 044123. PMID 21280703 DOI: 10.1063/1.3528935  0.4
2011 Chan GK, Barnason S, Dakin CL, Gillespie G, Kamienski MC, Stapleton S, Williams J, Juarez A, Li S. Barriers and perceived needs for understanding and using research among emergency nurses. Journal of Emergency Nursing: Jen : Official Publication of the Emergency Department Nurses Association. 37: 24-31. PMID 21237364 DOI: 10.1016/J.Jen.2009.11.016  0.08
2011 Chan GK, Sharma S. The density matrix renormalization group in quantum chemistry. Annual Review of Physical Chemistry. 62: 465-81. PMID 21219144 DOI: 10.1146/Annurev-Physchem-032210-103338  1
2010 Neuscamman E, Yanai T, Chan GK. Strongly contracted canonical transformation theory. The Journal of Chemical Physics. 132: 024106. PMID 20095662 DOI: 10.1063/1.3274822  0.68
2010 Yanai T, Kurashige Y, Neuscamman E, Chan GK. Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory. The Journal of Chemical Physics. 132: 024105. PMID 20095661 DOI: 10.1063/1.3275806  0.68
2009 Zgid D, Ghosh D, Neuscamman E, Chan GK. A study of cumulant approximations to n-electron valence multireference perturbation theory. The Journal of Chemical Physics. 130: 194107. PMID 19466821 DOI: 10.1063/1.3132922  1
2009 Dorando JJ, Hachmann J, Chan GK. Analytic response theory for the density matrix renormalization group. The Journal of Chemical Physics. 130: 184111. PMID 19449912 DOI: 10.1063/1.3121422  1
2009 Neuscamman E, Yanai T, Chan GK. Quadratic canonical transformation theory and higher order density matrices. The Journal of Chemical Physics. 130: 124102. PMID 19334803 DOI: 10.1063/1.3086932  0.68
2009 Chan GKL, Zgid D. Chapter 7 The Density Matrix Renormalization Group in Quantum Chemistry Annual Reports in Computational Chemistry. 5: 149-162. DOI: 10.1016/S1574-1400(09)00507-6  1
2008 Pérez LR, Chan GK. Clinical decision making and management of blunt traumatic thoracic aortic injuries. Air Medical Journal. 27: 139-43. PMID 18456176 DOI: 10.1016/J.Amj.2008.01.005  0.01
2008 Ghosh D, Hachmann J, Yanai T, Chan GK. Orbital optimization in the density matrix renormalization group, with applications to polyenes and beta-carotene. The Journal of Chemical Physics. 128: 144117. PMID 18412433 DOI: 10.1063/1.2883976  1
2008 Kim S, Park SY, Yong H, Famulski JK, Chae S, Lee JH, Kang CM, Saya H, Chan GK, Cho H. HBV X protein targets hBubR1, which induces dysregulation of the mitotic checkpoint. Oncogene. 27: 3457-64. PMID 18193091 DOI: 10.1038/sj.onc.1210998  0.36
2007 Famulski JK, Chan GK. Aurora B kinase-dependent recruitment of hZW10 and hROD to tensionless kinetochores. Current Biology : Cb. 17: 2143-9. PMID 18065224 DOI: 10.1016/j.cub.2007.11.037  0.28
2007 Hachmann J, Dorando JJ, Avilés M, Chan GK. The radical character of the acenes: a density matrix renormalization group study. The Journal of Chemical Physics. 127: 134309. PMID 17919026 DOI: 10.1063/1.2768362  1
2007 Yanai T, Chan GK. Canonical transformation theory from extended normal ordering. The Journal of Chemical Physics. 127: 104107. PMID 17867737 DOI: 10.1063/1.2761870  0.68
2007 Dorando JJ, Hachmann J, Chan GK. Targeted excited state algorithms. The Journal of Chemical Physics. 127: 084109. PMID 17764231 DOI: 10.1063/1.2768360  1
2006 Puntillo K, Neighbor M, Chan GK, Garbez R. The influence of chief complaint on opioid use in the emergency department. Journal of Opioid Management. 2: 228-35. PMID 17319484 DOI: 10.5055/Jom.2006.0035  0.01
2006 Hachmann J, Cardoen W, Chan GK. Multireference correlation in long molecules with the quadratic scaling density matrix renormalization group. The Journal of Chemical Physics. 125: 144101. PMID 17042573 DOI: 10.1063/1.2345196  1
2006 Vos LJ, Famulski JK, Chan GK. How to build a centromere: from centromeric and pericentromeric chromatin to kinetochore assembly. Biochemistry and Cell Biology = Biochimie Et Biologie Cellulaire. 84: 619-39. PMID 16936833 DOI: 10.1139/o06-078  0.32
2006 Storici F, Snipe JR, Chan GK, Gordenin DA, Resnick MA. Conservative repair of a chromosomal double-strand break by single-strand DNA through two steps of annealing. Molecular and Cellular Biology. 26: 7645-57. PMID 16908537 DOI: 10.1128/Mcb.00672-06  0.01
2006 Chan GK, Hackenschmidt A. Understanding the influences that determine nursing practice and the opportunities for involvement: A study of the NCSBN vision paper. Journal of Emergency Nursing: Jen : Official Publication of the Emergency Department Nurses Association. 32: 350-3. PMID 16863889 DOI: 10.1016/J.Jen.2006.04.003  0.01
2006 Garbez RO, Chan GK, Neighbor M, Puntillo K. Pain after discharge: A pilot study of factors associated with pain management and functional status. Journal of Emergency Nursing: Jen : Official Publication of the Emergency Department Nurses Association. 32: 288-93. PMID 16863873 DOI: 10.1016/J.Jen.2006.04.015  0.01
2006 Yanai T, Chan GK. Canonical transformation theory for multireference problems. The Journal of Chemical Physics. 124: 194106. PMID 16729802 DOI: 10.1063/1.2196410  0.68
2006 Hino O, Kinoshita T, Chan GK, Bartlett RJ. Tailored coupled cluster singles and doubles method applied to calculations on molecular structure and harmonic vibrational frequencies of ozone. The Journal of Chemical Physics. 124: 114311. PMID 16555892 DOI: 10.1063/1.2180775  1
2006 Chan GK. End-of-life and palliative care in the emergency department: a call for research, education, policy and improved practice in this frontier area. Journal of Emergency Nursing: Jen : Official Publication of the Emergency Department Nurses Association. 32: 101-3. PMID 16439303 DOI: 10.1016/J.Jen.2005.10.006  0.01
2005 Chan GK, Liu ST, Yen TJ. Kinetochore structure and function. Trends in Cell Biology. 15: 589-98. PMID 16214339 DOI: 10.1016/J.Tcb.2005.09.010  0.16
2005 Chan GK. Understanding end-of-life caring practices in the emergency department: developing Merleau-Ponty's notions of intentional arc and maximum grip through praxis and phronesis. Nursing Philosophy : An International Journal For Healthcare Professionals. 6: 19-32. PMID 15659087 DOI: 10.1111/J.1466-769X.2004.00204.X  0.01
2004 Chan GK, Kállay M, Gauss J. State-of-the-art density matrix renormalization group and coupled cluster theory studies of the nitrogen binding curve. The Journal of Chemical Physics. 121: 6110-6. PMID 15446905 DOI: 10.1063/1.1783212  1
2004 Yun C, Cho H, Kim SJ, Lee JH, Park SY, Chan GK, Cho H. Mitotic aberration coupled with centrosome amplification is induced by hepatitis B virus X oncoprotein via the Ras-mitogen-activated protein/extracellular signal-regulated kinase-mitogen-activated protein pathway. Molecular Cancer Research : McR. 2: 159-69. PMID 15037655  0.2
2004 Chan GK. End-of-life models and emergency department care. Academic Emergency Medicine : Official Journal of the Society For Academic Emergency Medicine. 11: 79-86. PMID 14709435 DOI: 10.1197/J.Aem.2003.07.019  0.01
2003 Chan GK, Yen TJ. The mitotic checkpoint: a signaling pathway that allows a single unattached kinetochore to inhibit mitotic exit. Progress in Cell Cycle Research. 5: 431-9. PMID 14593737  0.08
2003 Chan GK, Miao D, Deckelbaum R, Bolivar I, Karaplis A, Goltzman D. Parathyroid hormone-related peptide interacts with bone morphogenetic protein 2 to increase osteoblastogenesis and decrease adipogenesis in pluripotent C3H10T 1/2 mesenchymal cells. Endocrinology. 144: 5511-20. PMID 12960089 DOI: 10.1210/En.2003-0273  0.16
2002 Chan GK, Duque G. Age-related bone loss: old bone, new facts. Gerontology. 48: 62-71. PMID 11867927 DOI: 10.1159/000048929  0.04
2001 Chan GK, Deckelbaum RA, Bolivar I, Goltzman D, Karaplis AC. PTHrP inhibits adipocyte differentiation by down-regulating PPAR gamma activity via a MAPK-dependent pathway. Endocrinology. 142: 4900-9. PMID 11606458 DOI: 10.1210/Endo.142.11.8515  0.12
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