X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (21567) 21567
Publication (2479) 2479
Conference Proceeding (1621) 1621
Book Chapter (373) 373
Book / eBook (305) 305
Dissertation (290) 290
Paper (94) 94
Book Review (82) 82
Magazine Article (48) 48
Web Resource (25) 25
Government Document (15) 15
Journal / eJournal (6) 6
Reference (5) 5
Data Set (4) 4
Report (4) 4
Trade Publication Article (3) 3
Presentation (1) 1
Technical Report (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
algorithms (5898) 5898
index medicus (3458) 3458
chemistry, physical (2965) 2965
physics, atomic, molecular & chemical (2754) 2754
humans (2495) 2495
analysis (2166) 2166
computer simulation (2051) 2051
radiology, nuclear medicine & medical imaging (1754) 1754
chemistry, multidisciplinary (1708) 1708
mathematical models (1702) 1702
simulation (1701) 1701
calculation methods (1641) 1641
mathematical analysis (1609) 1609
physics (1470) 1470
algorithm (1436) 1436
monte carlo method (1410) 1410
chemistry (1392) 1392
thermodynamics (1285) 1285
total-energy calculations (1269) 1269
optimization (1116) 1116
computer science, interdisciplinary applications (1043) 1043
mathematical logic (1026) 1026
radiotherapy (985) 985
three-dimensional calculations (970) 970
materials science, multidisciplinary (952) 952
engineering, electrical & electronic (937) 937
radiotherapy dosage (903) 903
accuracy (873) 873
molecular dynamics (829) 829
research (826) 826
models, molecular (817) 817
dosimetry (814) 814
physics, applied (813) 813
classical and quantum mechanics, general physics (811) 811
biochemistry & molecular biology (806) 806
mechanics (805) 805
model (800) 800
mathematics (786) 786
density functional theory (771) 771
methods (771) 771
two-dimensional calculations (770) 770
models (764) 764
radiotherapy planning, computer-assisted - methods (745) 745
equations (737) 737
density-functional theory (734) 734
molecular-dynamics (725) 725
ab-initio (720) 720
computer calculations (715) 715
physics, mathematical (704) 704
physics, condensed matter (701) 701
biophysics (690) 690
free-energy calculations (683) 683
dynamics (682) 682
general and miscellaneous//mathematics, computing, and information science (682) 682
radiation therapy (660) 660
computerized simulation (655) 655
density functional calculations (644) 644
systems (640) 640
energy (639) 639
ab initio calculations (633) 633
computation (628) 628
software (622) 622
phantoms, imaging (620) 620
density (617) 617
proteins (611) 611
dose calculation (599) 599
male (592) 592
usage (584) 584
electrons (580) 580
engineering (577) 577
spectroscopy (575) 575
electronic-structure calculations (574) 574
female (574) 574
physical chemistry (566) 566
organic chemistry (548) 548
molecular dynamics simulation (524) 524
cancer (513) 513
water (513) 513
design (512) 512
stability (502) 502
oncology (495) 495
quantum theory (495) 495
radiology and nuclear medicine (492) 492
gaussian-basis sets (489) 489
article (488) 488
iterative methods (483) 483
reproducibility of results (476) 476
monte carlo methods (463) 463
approximation (459) 459
materials science (457) 457
ligands (456) 456
performance (450) 450
electronic structure (446) 446
multidisciplinary sciences (446) 446
simulations (442) 442
photons (441) 441
numerical calculations (440) 440
numerical solution (439) 439
engineering, chemical (438) 438
planning (433) 433
more...
Library Location Library Location
Library Location Library Location
X
Sort by Item Count (A-Z)
Filter by Count
Gerstein Science - Stacks (100) 100
Engineering & Comp. Sci. - Stacks (68) 68
UTL at Downsview - May be requested (34) 34
Mathematical Sciences - Stacks (28) 28
Online Resources - Online (23) 23
Aerospace - Stacks (18) 18
Physics - Stacks (14) 14
UofT at Mississauga - Stacks (13) 13
UofT at Scarborough - Stacks (11) 11
Astronomy & Astrophysics - Ask at library (10) 10
Collection Dvlpm't (Acquisitions) - Closed Orders (6) 6
Collection Dvlpm't (Acquisitions) - Vendor file (6) 6
Chemistry (A D Allen) - Stacks (5) 5
Engineering & Comp. Sci. - May be requested in 6-10 wks (4) 4
Engineering & Comp. Sci. - Periodical Stacks (3) 3
Engineering & Comp. Sci. - Reference (3) 3
OISE - Stacks (3) 3
Robarts - Stacks (3) 3
Trinity College (John W Graham) - Stacks (3) 3
Trinity College (John W Graham) - Storage (3) 3
Earth Sciences (Noranda) - Stacks (2) 2
Engineering & Comp. Sci. - Missing (2) 2
Gerstein Science - Circulation Desk (2) 2
OISE - Curriculum Resources (2) 2
UofT at Mississauga - May be requested in 6-10 wks (2) 2
Aerospace - Reference (1) 1
Architecture Landscape (Shore + Moffat) - Stacks (1) 1
Chemistry (A D Allen) - In transit (1) 1
Earth Sciences (Noranda) - Missing (1) 1
Engineering & Comp. Sci. - Special Collections (1) 1
Gerstein Science - Not Returned (1) 1
Gerstein Science - Theses (1) 1
St. Michael's College (John M. Kelly) - 2nd Floor (1) 1
University Archives - Archives (1) 1
UofT at Mississauga - Periodical Stacks (1) 1
UofT at Scarborough - May be requested in 6-10 wks (1) 1
Victoria University E.J. Pratt - Stacks (1) 1
more...
Language Language
Language Language
X
Sort by Item Count (A-Z)
Filter by Count
English (23029) 23029
French (307) 307
Japanese (300) 300
Chinese (162) 162
German (113) 113
Russian (37) 37
Spanish (22) 22
Korean (12) 12
Polish (6) 6
Portuguese (6) 6
Czech (5) 5
Arabic (2) 2
Croatian (2) 2
Hungarian (2) 2
Italian (2) 2
Slovak (2) 2
Swedish (2) 2
Lithuanian (1) 1
Turkish (1) 1
Ukrainian (1) 1
more...
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Journal of algorithms & computational technology, ISSN 1748-3018, 2007
Journal
Journal Article
International Journal of Radiation Oncology, Biology, Physics, ISSN 0360-3016, 2017, Volume 99, Issue 3, pp. 750 - 756
Journal Article
Computer Physics Communications, ISSN 0010-4655, 11/2018, Volume 232, pp. 59 - 70
The various algorithms used to extrapolate particle trajectories from measurements are often very time-consuming with computational complexities which are... 
Multiple circular regression | Multiple linear regression | Particle tracking | Algorithm | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | EM ALGORITHM | PHYSICS, MATHEMATICAL | LIKELIHOOD | Algorithms
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 09/2019, Volume 25, Issue 49, pp. 11528 - 11537
Despite numerous experimental studies since 1824, the binary copper(I) fluoride remains unknown. A crystal structure prediction has been carried out for CuF... 
density functional calculations | copper | structure elucidation | semiconductors | fluorides | CU-I | FREQUENCIES | CRYSCOR | CHEMISTRY, MULTIDISCIPLINARY | Fluoride treatment | Algorithms | Semiconductors | Analysis | Crystals | Fluorides | Structure | Substructures | Perturbation theory | Fluoride | Energy | Predictions | Evolutionary algorithms | Copper | Crystal structure | Genetic algorithms
Journal Article
Accounts of Chemical Research, ISSN 0001-4842, 02/2015, Volume 48, Issue 2, pp. 277 - 285
Journal Article
European Journal of Clinical Pharmacology, ISSN 0031-6970, 6/2013, Volume 69, Issue 6, pp. 1275 - 1283
Journal Article
Thrombosis and Haemostasis, ISSN 0340-6245, 10/2015, Volume 114, Issue 4, pp. 768 - 777
Journal Article
Physical Review A - Atomic, Molecular, and Optical Physics, ISSN 1050-2947, 08/2011, Volume 84, Issue 2
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 06/2015, Volume 11, Issue 6, pp. 2600 - 2608
Computational chemistry and other simulation fields are critically dependent on computing resources, but few problems scale efficiently to the hundreds of... 
DYNAMICS SIMULATIONS | FREE-ENERGY CALCULATIONS | MECHANICS | AMBER | PROGRAMS | PACKAGE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | FORCE-FIELDS | CHARMM | Naturvetenskap | Natural Sciences | Fysikalisk kemi | Physical Chemistry | Kemi | Chemical Sciences
Journal Article
Computer Physics Communications, ISSN 0010-4655, 11/2015, Volume 196, Issue C, pp. 36 - 44
We present an optimization algorithm to construct pseudopotentials and use it to generate a set of Optimized Norm-Conserving Vanderbilt (ONCV) pseudopotentials... 
Plane wave | Density functional theory | All-electron calculation | Condensed matter | Pseudopotential | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | PLANE-WAVE METHOD | PHYSICS, MATHEMATICAL | BULK SOLIDS | SURFACES | Mathematical optimization | Algorithms | Training | Construction | Accuracy | Mathematical analysis | Pseudopotentials | Mathematical models | Optimization
Journal Article
Journal of Physics Condensed Matter, ISSN 0953-8984, 01/2014, Volume 26, Issue 3, pp. 035402 - 6
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 10/2014, Volume 141, Issue 15, p. 154102
The recently developed evolutionary algorithm USPEX proved to be a tool that enables accurate and reliable prediction of structures. Here we extend this method... 
BLIND TEST | DIELECTRICS | POLY(VINYLIDENE FLUORIDE) | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SMALL ORGANIC-MOLECULES | X-RAY | DIFFRACTION | ENERGY CALCULATIONS | DENSITY-FUNCTIONAL THEORY | NATIVE CELLULOSE | Polyethylenes | Glycolic acid | Predictions | Vinylidene fluoride | Evolutionary algorithms | Polyvinyl chloride | Polymers | Crystal structure | Genetic algorithms
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 07/2006, Volume 8, Issue 27, pp. 3172 - 3191
Advances in theory and algorithms for electronic structure calculations must be incorporated into program packages to enable them to become routinely used by... 
Thermodynamics | Quantum Theory | Algorithms | Magnetic Resonance Spectroscopy | Models, Chemical | Biophysics - methods | Cluster Analysis | Electrons
Journal Article